 Entering Gaussian System, Link 0=g16
 Input=30_ibuprofen_conformer05_STD_wB97XD_augccpVDZ.in
 Output=30_ibuprofen_conformer05_STD_wB97XD_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/30_conformer04/Gau-17680.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/30_conformer04/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     17705.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 8-Sep-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=48GB
 %chk=30_ibuprofen_conformer05_STD_wB97XD_augccpVDZ
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Wed Sep  8 12:29:37 2021, MaxMem=  6442450944 cpu:               2.3 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "30_ibuprofen_conformer05_STD_wB97XD_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -0.709910000000      0.670807000000     -0.967581000000
  C                                                -1.514787000000     -0.421985000000     -0.641507000000
  C                                                 0.592878000000      0.771936000000     -0.502207000000
  C                                                 1.137615000000     -0.225982000000      0.304676000000
  C                                                 0.347678000000     -1.327177000000      0.619024000000
  C                                                -0.957714000000     -1.421755000000      0.154368000000
  C                                                -2.940864000000     -0.508394000000     -1.117499000000
  C                                                -3.987455000000      0.128199000000     -0.171742000000
  C                                                -3.779028000000      1.632708000000     -0.004548000000
  C                                                -4.041131000000     -0.569211000000      1.186803000000
  C                                                 2.555065000000     -0.110902000000      0.841195000000
  C                                                 3.512909000000      0.020089000000     -0.327512000000
  O                                                 3.916643000000      1.053908000000     -0.793769000000
  O                                                 3.856696000000     -1.186888000000     -0.831471000000
  H                                                -1.108539000000      1.453325000000     -1.601421000000
  H                                                 1.197146000000      1.626236000000     -0.780243000000
  H                                                 0.758326000000     -2.121930000000      1.230081000000
  H                                                -1.550996000000     -2.291094000000      0.409882000000
  H                                                -3.207271000000     -1.558295000000     -1.263900000000
  H                                                -3.023252000000     -0.023303000000     -2.093508000000
  H                                                -4.956106000000     -0.021345000000     -0.661200000000
  H                                                -3.767687000000      2.144305000000     -0.969553000000
  H                                                -2.833997000000      1.845956000000      0.498551000000
  H                                                -4.580691000000      2.067606000000      0.595584000000
  H                                                -3.105962000000     -0.437299000000      1.734311000000
  H                                                -4.217867000000     -1.641741000000      1.078812000000
  H                                                -4.845765000000     -0.157244000000      1.799012000000
  H                                                 2.793783000000     -1.046687000000      1.348092000000
  C                                                 2.714984000000      1.060322000000      1.812332000000
  H                                                 4.422318000000     -1.021428000000     -1.602212000000
  H                                                 2.519413000000      2.006373000000      1.310475000000
  H                                                 3.727494000000      1.097018000000      2.216623000000
  H                                                 2.011507000000      0.951447000000      2.637725000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     33 NQM=       33 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          16          16           1           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  15.9949146  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           1           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   5.6000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   8.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1           1          12           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           0           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000

  Atom        31          32          33
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Wed Sep  8 12:29:38 2021, MaxMem=  6442450944 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.709910    0.670807   -0.967581
      2          6           0       -1.514787   -0.421985   -0.641507
      3          6           0        0.592878    0.771936   -0.502207
      4          6           0        1.137615   -0.225982    0.304676
      5          6           0        0.347678   -1.327177    0.619024
      6          6           0       -0.957714   -1.421755    0.154368
      7          6           0       -2.940864   -0.508394   -1.117499
      8          6           0       -3.987455    0.128199   -0.171742
      9          6           0       -3.779028    1.632708   -0.004548
     10          6           0       -4.041131   -0.569211    1.186803
     11          6           0        2.555065   -0.110902    0.841195
     12          6           0        3.512909    0.020089   -0.327512
     13          8           0        3.916643    1.053908   -0.793769
     14          8           0        3.856696   -1.186888   -0.831471
     15          1           0       -1.108539    1.453325   -1.601421
     16          1           0        1.197146    1.626236   -0.780243
     17          1           0        0.758326   -2.121930    1.230081
     18          1           0       -1.550996   -2.291094    0.409882
     19          1           0       -3.207271   -1.558295   -1.263900
     20          1           0       -3.023252   -0.023303   -2.093508
     21          1           0       -4.956106   -0.021345   -0.661200
     22          1           0       -3.767687    2.144305   -0.969553
     23          1           0       -2.833997    1.845956    0.498551
     24          1           0       -4.580691    2.067606    0.595584
     25          1           0       -3.105962   -0.437299    1.734311
     26          1           0       -4.217867   -1.641741    1.078812
     27          1           0       -4.845765   -0.157244    1.799012
     28          1           0        2.793783   -1.046687    1.348092
     29          6           0        2.714984    1.060322    1.812332
     30          1           0        4.422318   -1.021428   -1.602212
     31          1           0        2.519413    2.006373    1.310475
     32          1           0        3.727494    1.097018    2.216623
     33          1           0        2.011507    0.951447    2.637725
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.395832   0.000000
     3  C    1.387104   2.426335   0.000000
     4  C    2.415826   2.822927   1.394145   0.000000
     5  C    2.761838   2.424270   2.392396   1.391203   0.000000
     6  C    2.387256   1.394018   2.765449   2.417203   1.388848
     7  C    2.527874   1.505899   3.808564   4.328548   3.807943
     8  C    3.416151   2.576329   4.637139   5.159337   4.640777
     9  C    3.357405   3.123182   4.483543   5.265333   5.116587
    10  C    4.156447   3.121988   5.111308   5.264538   4.489825
    11  C    3.813503   4.342680   2.536594   1.519954   2.530068
    12  C    4.320338   5.056852   3.020327   2.470270   3.567877
    13  O    4.645640   5.630442   3.348422   3.250799   4.516975
    14  O    4.931881   5.428996   3.820722   3.099608   3.799582
    15  H    1.083048   2.145521   2.137143   3.390942   3.844754
    16  H    2.141215   3.401329   1.082715   2.147395   3.376713
    17  H    3.845103   3.399955   3.376782   2.143561   1.083353
    18  H    3.373083   2.144831   3.848409   3.391811   2.139589
    19  H    3.360582   2.131449   4.522310   4.807653   4.029452
    20  H    2.664780   2.131366   4.030017   4.806785   4.518970
    21  H    4.313134   3.464618   5.607655   6.173186   5.610196
    22  H    3.394289   3.430600   4.595251   5.594990   5.613465
    23  H    2.835889   2.860700   3.728070   4.483773   4.495147
    24  H    4.401986   4.138626   5.445156   6.167998   5.984473
    25  H    3.777457   2.859473   4.488394   4.482907   3.736760
    26  H    4.673475   3.428402   5.609699   5.593286   4.599408
    27  H    5.044304   4.137830   5.978112   6.167544   5.452794
    28  H    4.537399   4.786704   3.402202   2.122538   2.567809
    29  C    4.428266   5.109748   3.153346   2.532923   3.567671
    30  H    5.441156   6.044130   4.369299   3.880494   4.650813
    31  H    4.171547   5.097247   2.919107   2.811478   4.038204
    32  H    5.478263   6.160989   4.162155   3.480423   4.455581
    33  H    4.525826   5.007437   3.450204   2.755566   3.469237
                    6          7          8          9         10
     6  C    0.000000
     7  C    2.526808   0.000000
     8  C    3.418777   1.547598   0.000000
     9  C    4.161107   2.554505   1.528052   0.000000
    10  C    3.361579   2.554231   1.528040   2.517233   0.000000
    11  C    3.811782   5.848052   6.624785   6.623911   6.621125
    12  C    4.722033   6.523386   7.502760   7.475105   7.726833
    13  O    5.548624   7.040667   7.982394   7.757656   8.359626
    14  O    4.919917   6.837323   7.980940   8.181577   8.175000
    15  H    3.372184   2.727625   3.476794   3.116680   4.523819
    16  H    3.848008   4.668352   5.430882   5.036274   6.010724
    17  H    2.142941   4.668901   5.436049   6.017408   5.044561
    18  H    1.083061   2.728121   3.482470   4.531236   3.125581
    19  H    2.662824   1.093022   2.155402   3.477840   2.771201
    20  H    3.357836   1.093021   2.155418   2.770798   3.477720
    21  H    4.314329   2.122881   1.095544   2.133681   2.133647
    22  H    4.677171   2.782505   2.179331   1.092289   3.476753
    23  H    3.783759   2.857622   2.174959   1.091635   2.786377
    24  H    5.049384   3.501351   2.168414   1.091768   2.755625
    25  H    2.842594   2.857470   2.174823   2.785961   1.091653
    26  H    3.395819   2.781905   2.179372   3.476818   1.092345
    27  H    4.406902   3.501141   2.168420   2.755846   1.091766
    28  H    3.954666   6.265387   7.048081   7.225693   6.853470
    29  C    4.732680   6.559984   7.051815   6.767634   6.977948
    30  H    5.673674   7.396932   8.607681   8.766929   8.922616
    31  H    5.017874   6.483343   6.932809   6.445097   7.049090
    32  H    5.705111   7.626317   8.134085   7.846556   8.011765
    33  H    4.540421   6.384264   6.675207   6.401251   6.407184
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.516740   0.000000
    13  O    2.425651   1.203818   0.000000
    14  O    2.376931   1.352390   2.241915   0.000000
    15  H    4.672812   5.003478   5.105320   5.676011   0.000000
    16  H    2.736906   2.854371   2.779102   3.871627   2.453653
    17  H    2.724654   3.821265   4.914965   3.837212   4.927985
    18  H    4.668940   5.615020   6.521724   5.657151   4.273381
    19  H    6.303244   6.966271   7.602288   7.086929   3.686252
    20  H    6.303791   6.770674   7.142258   7.090864   2.467530
    21  H    7.660477   8.475688   8.938647   8.891173   4.226398
    22  H    6.952838   7.611280   7.763298   8.321486   2.819180
    23  H    5.743578   6.655778   6.918712   7.465419   2.746133
    24  H    7.464934   8.399452   8.669635   9.155202   4.154517
    25  H    5.740333   6.947645   7.611299   7.458132   4.323340
    26  H    6.947844   8.031458   8.771735   8.309912   5.141109
    27  H    7.462697   8.626760   9.217874   9.149450   5.303182
    28  H    1.090699   2.112534   3.203261   2.428978   5.493433
    29  C    1.529852   2.509522   2.869806   3.652828   5.140767
    30  H    3.207168   1.880596   2.283924   0.970230   6.059272
    31  H    2.168951   2.759594   2.699497   4.071016   4.684766
    32  H    2.173813   2.771001   3.016637   3.811010   6.171842
    33  H    2.156748   3.451705   3.926219   4.473536   5.287431
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.275829   0.000000
    18  H    4.930939   2.456483   0.000000
    19  H    5.456560   4.718430   2.466128   0.000000
    20  H    4.717775   5.454430   3.684749   1.754512   0.000000
    21  H    6.371123   6.375275   4.230101   2.404971   2.405709
    22  H    4.995378   6.597268   5.146778   3.756322   2.552642
    23  H    4.234821   5.402225   4.332336   3.851557   3.201362
    24  H    5.955763   6.816150   5.311478   4.300130   3.745495
    25  H    5.394247   4.245580   2.758367   3.202525   3.851030
    26  H    6.592278   5.001596   2.825124   2.552757   3.756336
    27  H    6.808093   5.965694   4.163953   3.745536   4.300140
    28  H    3.771416   2.305029   4.615831   6.564822   6.835921
    29  C    3.057047   3.780774   5.603342   7.168923   7.025467
    30  H    4.252939   4.760024   6.429701   7.655933   7.528223
    31  H    2.502798   4.488962   5.987280   7.220054   6.813796
    32  H    3.957769   4.488970   6.527333   8.200957   8.087331
    33  H    3.577853   3.605214   5.307427   6.982630   6.977356
                   21         22         23         24         25
    21  H    0.000000
    22  H    2.489470   0.000000
    23  H    3.055353   1.765253   0.000000
    24  H    2.466609   1.765365   1.763373   0.000000
    25  H    3.055245   3.796504   2.610425   3.121870   0.000000
    26  H    2.489643   4.328118   3.796818   3.758245   1.765416
    27  H    2.466432   3.758235   3.122694   2.543317   1.763386
    28  H    8.071515   7.655508   6.384435   8.040395   5.943695
    29  C    8.132280   7.137151   5.756252   7.464715   6.011021
    30  H    9.478423   8.803312   8.080173   9.768654   8.255216
    31  H    7.992655   6.689184   5.417006   7.136266   6.147846
    32  H    9.216155   8.211350   6.823917   8.520314   7.020176
    33  H    7.770255   6.916245   5.371696   6.990939   5.378965
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.765411   0.000000
    28  H    7.042005   7.704358   0.000000
    29  C    7.476872   7.658170   2.158985   0.000000
    30  H    9.067826   9.910222   3.370023   4.348308   0.000000
    31  H    7.665073   7.691928   3.065594   1.088633   4.612198
    32  H    8.480812   8.674580   2.494320   1.090859   4.422001
    33  H    6.925311   6.996772   2.503527   1.089957   5.261303
                   31         32         33
    31  H    0.000000
    32  H    1.762808   0.000000
    33  H    1.769867   1.772887   0.000000
 Stoichiometry    C13H18O2
 Framework group  C1[X(C13H18O2)]
 Deg. of freedom    93
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 2.07D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.709910    0.670807   -0.967581
      2          6           0       -1.514787   -0.421985   -0.641507
      3          6           0        0.592878    0.771936   -0.502207
      4          6           0        1.137615   -0.225982    0.304676
      5          6           0        0.347678   -1.327177    0.619024
      6          6           0       -0.957714   -1.421755    0.154368
      7          6           0       -2.940864   -0.508394   -1.117499
      8          6           0       -3.987455    0.128199   -0.171742
      9          6           0       -3.779028    1.632708   -0.004548
     10          6           0       -4.041131   -0.569211    1.186803
     11          6           0        2.555065   -0.110902    0.841195
     12          6           0        3.512909    0.020089   -0.327512
     13          8           0        3.916643    1.053908   -0.793769
     14          8           0        3.856696   -1.186888   -0.831471
     15          1           0       -1.108539    1.453325   -1.601421
     16          1           0        1.197146    1.626236   -0.780243
     17          1           0        0.758326   -2.121930    1.230081
     18          1           0       -1.550996   -2.291094    0.409882
     19          1           0       -3.207271   -1.558295   -1.263900
     20          1           0       -3.023252   -0.023303   -2.093508
     21          1           0       -4.956106   -0.021345   -0.661200
     22          1           0       -3.767687    2.144305   -0.969553
     23          1           0       -2.833997    1.845956    0.498551
     24          1           0       -4.580691    2.067606    0.595584
     25          1           0       -3.105962   -0.437299    1.734311
     26          1           0       -4.217867   -1.641741    1.078812
     27          1           0       -4.845765   -0.157244    1.799012
     28          1           0        2.793783   -1.046687    1.348092
     29          6           0        2.714984    1.060322    1.812332
     30          1           0        4.422318   -1.021428   -1.602212
     31          1           0        2.519413    2.006373    1.310475
     32          1           0        3.727494    1.097018    2.216623
     33          1           0        2.011507    0.951447    2.637725
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.4017426           0.2678143           0.2638389
 Leave Link  202 at Wed Sep  8 12:29:38 2021, MaxMem=  6442450944 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      15     16     17     18     19     20     21     22     23     24
 Centers:      25     26     27     28     30     31     32     33
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9     10
 Centers:      11     12     29
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      13     14
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  45 primitive shells out of 564 were deleted.
 There are   537 symmetry adapted cartesian basis functions of A   symmetry.
 There are   507 symmetry adapted basis functions of A   symmetry.
   507 basis functions,   921 primitive gaussians,   537 cartesian basis functions
    56 alpha electrons       56 beta electrons
       nuclear repulsion energy       981.3510194734 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   33 NActive=   33 NUniq=   33 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0249546239 Hartrees.
 Nuclear repulsion after empirical dispersion term =      981.3260648495 Hartrees.
 Leave Link  301 at Wed Sep  8 12:29:41 2021, MaxMem=  6442450944 cpu:              17.0 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   507 RedAO= T EigKep=  1.13D-06  NBF=   507
 NBsUse=   506 1.00D-06 EigRej=  9.81D-07 NBFU=   506
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   537   537   537   537   537 MxSgAt=    33 MxSgA2=    33.
 Leave Link  302 at Wed Sep  8 12:29:42 2021, MaxMem=  6442450944 cpu:              10.0 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Wed Sep  8 12:29:42 2021, MaxMem=  6442450944 cpu:               1.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "30_ibuprofen_conformer05_STD_wB97XD_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Wed Sep  8 12:29:44 2021, MaxMem=  6442450944 cpu:               9.8 elap:               1.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6441864761 LenY=  6441575855
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -656.578235151135    
 DIIS: error= 2.02D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -656.578235151135     IErMin= 1 ErrMin= 2.02D-03
 ErrMax= 2.02D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.88D-03 BMatP= 7.88D-03
 IDIUse=3 WtCom= 9.80D-01 WtEn= 2.02D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.363 Goal=   None    Shift=    0.000
 GapD=    0.363 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=3.83D-02 MaxDP=4.44D+00              OVMax= 1.13D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  3.11D-02    CP:  1.49D+00
 E= -656.584370567963     Delta-E=       -0.006135416829 Rises=F Damp=F
 DIIS: error= 2.57D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -656.584370567963     IErMin= 2 ErrMin= 2.57D-04
 ErrMax= 2.57D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.26D-04 BMatP= 7.88D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.57D-03
 Coeff-Com: -0.449D-01 0.104D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.447D-01 0.104D+01
 Gap=     0.348 Goal=   None    Shift=    0.000
 RMSDP=5.74D-03 MaxDP=6.46D-01 DE=-6.14D-03 OVMax= 3.85D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.13D-03    CP:  1.56D+00  1.14D+00
 E= -656.584514119705     Delta-E=       -0.000143551742 Rises=F Damp=F
 DIIS: error= 2.40D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -656.584514119705     IErMin= 3 ErrMin= 2.40D-04
 ErrMax= 2.40D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.20D-05 BMatP= 1.26D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.40D-03
 Coeff-Com: -0.349D-01 0.480D+00 0.555D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.348D-01 0.479D+00 0.556D+00
 Gap=     0.348 Goal=   None    Shift=    0.000
 RMSDP=3.13D-04 MaxDP=3.26D-02 DE=-1.44D-04 OVMax= 1.46D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  6.94D-05    CP:  1.57D+00  1.15D+00  1.08D+00
 E= -656.584571735763     Delta-E=       -0.000057616058 Rises=F Damp=F
 DIIS: error= 4.06D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -656.584571735763     IErMin= 4 ErrMin= 4.06D-05
 ErrMax= 4.06D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.17D-06 BMatP= 8.20D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.204D-02-0.270D-01 0.122D+00 0.907D+00
 Coeff:     -0.204D-02-0.270D-01 0.122D+00 0.907D+00
 Gap=     0.348 Goal=   None    Shift=    0.000
 RMSDP=1.84D-04 MaxDP=1.92D-02 DE=-5.76D-05 OVMax= 5.48D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.91D-05    CP:  1.57D+00  1.15D+00  1.15D+00  1.44D+00
 E= -656.584575219380     Delta-E=       -0.000003483617 Rises=F Damp=F
 DIIS: error= 2.69D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -656.584575219380     IErMin= 5 ErrMin= 2.69D-05
 ErrMax= 2.69D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.73D-07 BMatP= 3.17D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.174D-02-0.469D-01 0.469D-02 0.372D+00 0.669D+00
 Coeff:      0.174D-02-0.469D-01 0.469D-02 0.372D+00 0.669D+00
 Gap=     0.348 Goal=   None    Shift=    0.000
 RMSDP=2.21D-05 MaxDP=1.89D-03 DE=-3.48D-06 OVMax= 2.67D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.06D-05    CP:  1.57D+00  1.16D+00  1.16D+00  1.53D+00  1.11D+00
 E= -656.584575741974     Delta-E=       -0.000000522595 Rises=F Damp=F
 DIIS: error= 7.55D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -656.584575741974     IErMin= 6 ErrMin= 7.55D-06
 ErrMax= 7.55D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.67D-08 BMatP= 5.73D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.105D-02-0.192D-01-0.108D-01 0.790D-01 0.330D+00 0.620D+00
 Coeff:      0.105D-02-0.192D-01-0.108D-01 0.790D-01 0.330D+00 0.620D+00
 Gap=     0.348 Goal=   None    Shift=    0.000
 RMSDP=7.73D-06 MaxDP=7.38D-04 DE=-5.23D-07 OVMax= 9.11D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.20D-06    CP:  1.57D+00  1.16D+00  1.16D+00  1.55D+00  1.16D+00
                    CP:  1.13D+00
 E= -656.584575822163     Delta-E=       -0.000000080189 Rises=F Damp=F
 DIIS: error= 2.85D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -656.584575822163     IErMin= 7 ErrMin= 2.85D-06
 ErrMax= 2.85D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.78D-09 BMatP= 9.67D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.185D-03-0.142D-02-0.467D-02-0.177D-01 0.517D-01 0.252D+00
 Coeff-Com:  0.720D+00
 Coeff:      0.185D-03-0.142D-02-0.467D-02-0.177D-01 0.517D-01 0.252D+00
 Coeff:      0.720D+00
 Gap=     0.348 Goal=   None    Shift=    0.000
 RMSDP=5.83D-06 MaxDP=6.48D-04 DE=-8.02D-08 OVMax= 4.69D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.46D-06    CP:  1.57D+00  1.16D+00  1.16D+00  1.55D+00  1.17D+00
                    CP:  1.15D+00  1.28D+00
 E= -656.584575832256     Delta-E=       -0.000000010092 Rises=F Damp=F
 DIIS: error= 7.03D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -656.584575832256     IErMin= 8 ErrMin= 7.03D-07
 ErrMax= 7.03D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.67D-10 BMatP= 8.78D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.800D-04 0.203D-02 0.754D-04-0.162D-01-0.302D-01-0.297D-01
 Coeff-Com:  0.213D+00 0.861D+00
 Coeff:     -0.800D-04 0.203D-02 0.754D-04-0.162D-01-0.302D-01-0.297D-01
 Coeff:      0.213D+00 0.861D+00
 Gap=     0.348 Goal=   None    Shift=    0.000
 RMSDP=1.91D-06 MaxDP=2.18D-04 DE=-1.01D-08 OVMax= 1.47D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  6.02D-07    CP:  1.57D+00  1.15D+00  1.16D+00  1.55D+00  1.18D+00
                    CP:  1.17D+00  1.31D+00  1.22D+00
 E= -656.584575833654     Delta-E=       -0.000000001399 Rises=F Damp=F
 DIIS: error= 1.96D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -656.584575833654     IErMin= 9 ErrMin= 1.96D-07
 ErrMax= 1.96D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.50D-11 BMatP= 8.67D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.379D-04 0.762D-03 0.323D-03-0.416D-02-0.124D-01-0.284D-01
 Coeff-Com:  0.261D-01 0.268D+00 0.749D+00
 Coeff:     -0.379D-04 0.762D-03 0.323D-03-0.416D-02-0.124D-01-0.284D-01
 Coeff:      0.261D-01 0.268D+00 0.749D+00
 Gap=     0.348 Goal=   None    Shift=    0.000
 RMSDP=2.52D-07 MaxDP=1.82D-05 DE=-1.40D-09 OVMax= 4.79D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.52D-07    CP:  1.57D+00  1.15D+00  1.16D+00  1.55D+00  1.17D+00
                    CP:  1.17D+00  1.33D+00  1.24D+00  1.07D+00
 E= -656.584575833694     Delta-E=       -0.000000000040 Rises=F Damp=F
 DIIS: error= 7.63D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -656.584575833694     IErMin=10 ErrMin= 7.63D-08
 ErrMax= 7.63D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.31D-11 BMatP= 6.50D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.241D-06-0.748D-04 0.106D-03 0.134D-02 0.120D-02-0.653D-02
 Coeff-Com: -0.256D-01-0.535D-01 0.277D+00 0.806D+00
 Coeff:     -0.241D-06-0.748D-04 0.106D-03 0.134D-02 0.120D-02-0.653D-02
 Coeff:     -0.256D-01-0.535D-01 0.277D+00 0.806D+00
 Gap=     0.348 Goal=   None    Shift=    0.000
 RMSDP=2.09D-07 MaxDP=1.77D-05 DE=-3.96D-11 OVMax= 2.19D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  9.59D-08    CP:  1.57D+00  1.16D+00  1.16D+00  1.55D+00  1.17D+00
                    CP:  1.17D+00  1.33D+00  1.24D+00  1.10D+00  1.09D+00
 E= -656.584575833699     Delta-E=       -0.000000000005 Rises=F Damp=F
 DIIS: error= 2.88D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -656.584575833699     IErMin=11 ErrMin= 2.88D-08
 ErrMax= 2.88D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.67D-12 BMatP= 1.31D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.471D-05-0.126D-03-0.328D-05 0.102D-02 0.212D-02 0.691D-03
 Coeff-Com: -0.123D-01-0.543D-01 0.133D-01 0.300D+00 0.749D+00
 Coeff:      0.471D-05-0.126D-03-0.328D-05 0.102D-02 0.212D-02 0.691D-03
 Coeff:     -0.123D-01-0.543D-01 0.133D-01 0.300D+00 0.749D+00
 Gap=     0.348 Goal=   None    Shift=    0.000
 RMSDP=6.08D-08 MaxDP=6.04D-06 DE=-4.77D-12 OVMax= 9.09D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  2.14D-08    CP:  1.57D+00  1.16D+00  1.16D+00  1.55D+00  1.17D+00
                    CP:  1.17D+00  1.33D+00  1.24D+00  1.11D+00  1.17D+00
                    CP:  1.05D+00
 E= -656.584575833671     Delta-E=        0.000000000028 Rises=F Damp=F
 DIIS: error= 1.22D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -656.584575833699     IErMin=12 ErrMin= 1.22D-08
 ErrMax= 1.22D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.02D-13 BMatP= 1.67D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.143D-05-0.268D-04-0.166D-04 0.108D-03 0.496D-03 0.109D-02
 Coeff-Com:  0.220D-03-0.881D-02-0.340D-01-0.284D-01 0.221D+00 0.848D+00
 Coeff:      0.143D-05-0.268D-04-0.166D-04 0.108D-03 0.496D-03 0.109D-02
 Coeff:      0.220D-03-0.881D-02-0.340D-01-0.284D-01 0.221D+00 0.848D+00
 Gap=     0.348 Goal=   None    Shift=    0.000
 RMSDP=1.58D-08 MaxDP=8.37D-07 DE= 2.77D-11 OVMax= 4.31D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  8.41D-09    CP:  1.57D+00  1.16D+00  1.16D+00  1.55D+00  1.17D+00
                    CP:  1.17D+00  1.32D+00  1.23D+00  1.10D+00  1.19D+00
                    CP:  1.14D+00  1.15D+00
 E= -656.584575833684     Delta-E=       -0.000000000013 Rises=F Damp=F
 DIIS: error= 5.77D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=11 EnMin= -656.584575833699     IErMin=13 ErrMin= 5.77D-09
 ErrMax= 5.77D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.75D-14 BMatP= 2.02D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.385D-06 0.133D-04-0.265D-05-0.131D-03-0.204D-03 0.161D-03
 Coeff-Com:  0.188D-02 0.607D-02-0.957D-02-0.539D-01-0.685D-01 0.192D+00
 Coeff-Com:  0.933D+00
 Coeff:     -0.385D-06 0.133D-04-0.265D-05-0.131D-03-0.204D-03 0.161D-03
 Coeff:      0.188D-02 0.607D-02-0.957D-02-0.539D-01-0.685D-01 0.192D+00
 Coeff:      0.933D+00
 Gap=     0.348 Goal=   None    Shift=    0.000
 RMSDP=8.39D-09 MaxDP=6.26D-07 DE=-1.34D-11 OVMax= 2.59D-07

 SCF Done:  E(RwB97XD) =  -656.584575834     A.U. after   13 cycles
            NFock= 13  Conv=0.84D-08     -V/T= 2.0061
 KE= 6.526069926345D+02 PE=-3.489840079909D+03 EE= 1.199322446592D+03
 Leave Link  502 at Wed Sep  8 12:52:16 2021, MaxMem=  6442450944 cpu:           10806.4 elap:            1351.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   506
 NBasis=   507 NAE=    56 NBE=    56 NFC=     0 NFV=     0
 NROrb=    506 NOA=    56 NOB=    56 NVA=   450 NVB=   450

 **** Warning!!: The largest alpha MO coefficient is  0.11640777D+03

 Leave Link  801 at Wed Sep  8 12:52:16 2021, MaxMem=  6442450944 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
        10234 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          33
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.20D-13 8.33D-09 XBig12= 1.00D+00 3.19D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.20D-13 8.33D-09 XBig12= 2.12D-01 6.69D-02.
     11 vectors produced by pass  2 Test12= 4.20D-13 8.33D-09 XBig12= 4.88D-02 6.09D-02.
     11 vectors produced by pass  3 Test12= 4.20D-13 8.33D-09 XBig12= 5.92D-03 1.83D-02.
     11 vectors produced by pass  4 Test12= 4.20D-13 8.33D-09 XBig12= 6.76D-04 4.83D-03.
     11 vectors produced by pass  5 Test12= 4.20D-13 8.33D-09 XBig12= 1.02D-04 1.31D-03.
     11 vectors produced by pass  6 Test12= 4.20D-13 8.33D-09 XBig12= 7.68D-06 5.89D-04.
     11 vectors produced by pass  7 Test12= 4.20D-13 8.33D-09 XBig12= 3.63D-07 9.97D-05.
     11 vectors produced by pass  8 Test12= 4.20D-13 8.33D-09 XBig12= 1.45D-08 1.98D-05.
     11 vectors produced by pass  9 Test12= 4.20D-13 8.33D-09 XBig12= 6.17D-10 4.19D-06.
     10 vectors produced by pass 10 Test12= 4.20D-13 8.33D-09 XBig12= 2.02D-11 6.78D-07.
      8 vectors produced by pass 11 Test12= 4.20D-13 8.33D-09 XBig12= 5.93D-13 9.97D-08.
      1 vectors produced by pass 12 Test12= 4.20D-13 8.33D-09 XBig12= 6.54D-14 1.43D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 5.68D-14
 Solved reduced A of dimension   129 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.212070D+03
      2  0.618373D+01  0.154108D+03
      3  0.766266D+01 -0.866357D+01  0.139296D+03
 Isotropic polarizability for W=    0.088559      168.49 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.194640D+03  0.209126D+02 -0.439430D+02
      2   0.850337D+02 -0.223833D+02 -0.260976D+01
      3   0.109606D+03  0.147061D+01  0.465527D+02
      4   0.296897D+02 -0.110270D+03  0.273198D+02
      5   0.156358D+02  0.300731D+02 -0.975570D+02
      6   0.631422D+01  0.235251D+02  0.263250D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.681490D+01  0.455430D+01 -0.104775D+00
      2  -0.106833D+02  0.964524D+01 -0.511370D+02
      3  -0.351866D+02  0.510058D+02 -0.176203D+02
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1   0.275330D+01  0.261349D+02 -0.248544D+02
      2  -0.595788D+02  0.210055D+02 -0.207163D+03
      3   0.877704D+01  0.195304D+03 -0.237589D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.329919D+01 -0.264824D+01  0.681318D+01
      2  -0.264824D+01 -0.151293D+00 -0.144956D+01
      3   0.681318D+01 -0.144956D+01  0.229036D+01
 OR G Eigenvalues:    -8.1270    -0.8122     7.7790  Iso=     0.3867
 Eigenvectors:
   (1)   0.834291   0.182462  -0.520256
   (2)   0.028459   0.928137   0.371149
   (3)   0.550589  -0.324452   0.769144
 w=    0.088559 a.u., Optical Rotation Beta=      0.3867 au.
 Molar Mass =    206.2840 grams/mole, [Alpha] ( 5145.0 A) =       95.06 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  128778 ScalPx= 3.42D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  128778 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.07D+04
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 7.00D-14 2.78D-09 XBig12= 1.00D+00 3.22D-01.
     30 vectors produced by pass  1 Test12= 7.00D-14 2.78D-09 XBig12= 2.15D-02 2.82D-02.
     30 vectors produced by pass  2 Test12= 7.00D-14 2.78D-09 XBig12= 1.39D-03 6.20D-03.
     30 vectors produced by pass  3 Test12= 7.00D-14 2.78D-09 XBig12= 3.70D-05 1.02D-03.
     30 vectors produced by pass  4 Test12= 7.00D-14 2.78D-09 XBig12= 9.26D-07 1.67D-04.
     30 vectors produced by pass  5 Test12= 7.00D-14 2.78D-09 XBig12= 1.96D-08 1.81D-05.
     30 vectors produced by pass  6 Test12= 7.00D-14 2.78D-09 XBig12= 2.85D-10 1.51D-06.
     30 vectors produced by pass  7 Test12= 7.00D-14 2.78D-09 XBig12= 3.21D-12 1.50D-07.
     27 vectors produced by pass  8 Test12= 7.00D-14 2.78D-09 XBig12= 4.77D-14 1.76D-08.
     10 vectors produced by pass  9 Test12= 7.00D-14 2.78D-09 XBig12= 8.22D-15 5.91D-09.
      5 vectors produced by pass 10 Test12= 7.00D-14 2.78D-09 XBig12= 4.99D-15 3.83D-09.
      5 vectors produced by pass 11 Test12= 7.00D-14 2.78D-09 XBig12= 3.50D-14 1.56D-08.
      4 vectors produced by pass 12 Test12= 7.00D-14 2.78D-09 XBig12= 1.76D-14 7.55D-09.
      4 vectors produced by pass 13 Test12= 7.00D-14 2.78D-09 XBig12= 5.12D-14 1.33D-08.
      4 vectors produced by pass 14 Test12= 7.00D-14 2.78D-09 XBig12= 3.23D-14 1.26D-08.
      3 vectors produced by pass 15 Test12= 7.00D-14 2.78D-09 XBig12= 6.82D-14 1.50D-08.
      1 vectors produced by pass 16 Test12= 7.00D-14 2.78D-09 XBig12= 8.51D-15 7.89D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.55D-15
 Solved reduced A of dimension   303 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  128778 ScalPx= 1.27D+04
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  128778 ScalPx= 1.27D+04
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  128778 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 9.27D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.212070D+03  0.618373D+01  0.766266D+01
      2   0.618373D+01  0.154108D+03 -0.866357D+01
      3   0.766266D+01 -0.866357D+01  0.139296D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.681490D+01  0.455430D+01 -0.104775D+00
      2  -0.106833D+02  0.964524D+01 -0.511370D+02
      3  -0.351866D+02  0.510058D+02 -0.176203D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.194640D+03  0.209126D+02 -0.439430D+02
      2   0.850337D+02 -0.223833D+02 -0.260976D+01
      3   0.109606D+03  0.147061D+01  0.465527D+02
      4   0.296897D+02 -0.110270D+03  0.273198D+02
      5   0.156358D+02  0.300731D+02 -0.975570D+02
      6   0.631422D+01  0.235251D+02  0.263250D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.921127D+01  0.131474D+01  0.238748D+01  0.118949D+02 -0.339382D+00
      2   0.131474D+01 -0.208022D+01  0.525089D-02 -0.339382D+00  0.232424D+01
      3   0.238748D+01  0.525089D-02  0.320189D+00  0.135038D+01  0.854963D+00
                 6             7             8             9            10 
      1   0.135038D+01 -0.798270D+00 -0.173439D+01  0.901611D-01 -0.289266D+02
      2   0.854963D+00 -0.173439D+01  0.798448D+00  0.766981D+00 -0.170300D-01
      3  -0.506274D+00  0.901611D-01  0.766981D+00 -0.428346D+01 -0.322810D+01
                11            12            13            14            15 
      1  -0.170300D-01 -0.322810D+01  0.659691D-01 -0.126870D+01 -0.171194D+01
      2  -0.255839D+01  0.825515D+00 -0.126870D+01 -0.167865D+01 -0.262695D+00
      3   0.825515D+00 -0.192260D+01 -0.171194D+01 -0.262695D+00 -0.129828D+01
                16            17            18            19            20 
      1  -0.631172D+01 -0.175308D+01 -0.452790D+01 -0.666709D+01 -0.513442D+00
      2  -0.175308D+01 -0.974245D+00 -0.644508D+00 -0.513442D+00  0.107219D+01
      3  -0.452790D+01 -0.644508D+00 -0.299860D+01 -0.267981D+01 -0.150498D+01
                21            22            23            24            25 
      1  -0.267981D+01  0.947514D+01  0.597861D+00  0.274288D+01 -0.971670D+01
      2  -0.150498D+01  0.597861D+00  0.307157D+01  0.118452D+01 -0.948816D+00
      3   0.252154D+01  0.274288D+01  0.118452D+01  0.797228D+00 -0.607515D+00
                26            27            28            29            30 
      1  -0.948816D+00 -0.607515D+00  0.248438D+02  0.162336D+01  0.462107D+01
      2   0.187096D+01  0.847562D+00  0.162336D+01  0.235452D+01 -0.142836D+00
      3   0.847562D+00 -0.186680D+01  0.462107D+01 -0.142836D+00  0.268634D+01
                31            32            33            34            35 
      1   0.904619D+00  0.109946D+01  0.177381D+01  0.454686D+01  0.217942D+01
      2   0.109946D+01 -0.552059D+00  0.619984D+00  0.217942D+01  0.209389D+01
      3   0.177381D+01  0.619984D+00  0.214252D+01  0.513961D+01  0.803991D+00
                36            37            38            39            40 
      1   0.513961D+01 -0.104240D+02 -0.140668D+01 -0.304777D+01 -0.128377D+02
      2   0.803991D+00 -0.140668D+01  0.398527D+01 -0.304480D-02 -0.868274D+00
      3   0.231582D+01 -0.304777D+01 -0.304480D-02 -0.566643D+00 -0.133159D+01
                41            42            43            44            45 
      1  -0.868274D+00 -0.133159D+01  0.576542D+00  0.181595D+01  0.342489D+00
      2  -0.186298D+01 -0.136612D+01  0.181595D+01 -0.782930D+00 -0.110546D+01
      3  -0.136612D+01 -0.153164D+00  0.342489D+00 -0.110546D+01  0.435349D+01
                46            47            48            49            50 
      1   0.762123D+01  0.518612D+00  0.291057D+01 -0.841574D+01  0.729989D+00
      2   0.518612D+00 -0.219756D+01  0.160849D+01  0.729989D+00 -0.241138D+01
      3   0.291057D+01  0.160849D+01 -0.208905D+01 -0.258479D+01 -0.124612D+01
                51            52            53            54            55 
      1  -0.258479D+01  0.112723D+02  0.495569D+00 -0.905628D-01  0.160685D+02
      2  -0.124612D+01  0.495569D+00 -0.350405D+01 -0.126310D+01 -0.171332D+01
      3  -0.107860D+01 -0.905628D-01 -0.126310D+01  0.147062D+01 -0.134202D+01
                56            57            58            59            60 
      1  -0.171332D+01 -0.134202D+01 -0.449714D+01  0.358008D+01  0.138910D+01
      2   0.199059D+01  0.907156D+00  0.358008D+01  0.478757D+01  0.216040D+01
      3   0.907156D+00  0.145097D+01  0.138910D+01  0.216040D+01 -0.289303D+01
                61            62            63            64            65 
      1  -0.479965D+01  0.157239D+01  0.344708D+01 -0.151327D+01  0.310314D+01
      2   0.157239D+01  0.788057D+00 -0.218894D+01  0.310314D+01 -0.137117D+01
      3   0.344708D+01 -0.218894D+01  0.461711D+01  0.566870D+01 -0.794565D+00
                66            67            68            69            70 
      1   0.566870D+01  0.755379D+01 -0.125038D+01 -0.108612D+01  0.134650D+02
      2  -0.794565D+00 -0.125038D+01 -0.499010D+01 -0.813373D+00 -0.178671D+01
      3   0.267571D+00 -0.108612D+01 -0.813373D+00  0.358614D+01  0.515140D+00
                71            72            73            74            75 
      1  -0.178671D+01  0.515140D+00  0.114004D+00 -0.317236D+01 -0.469177D+01
      2  -0.116771D+01  0.369685D+01 -0.317236D+01  0.185707D+01  0.125930D+01
      3   0.369685D+01 -0.173872D+01 -0.469177D+01  0.125930D+01  0.206390D+00
                76            77            78            79            80 
      1  -0.378603D+01  0.103897D+01  0.843822D+00 -0.640225D+01  0.168900D+01
      2   0.103897D+01  0.319900D+01  0.917575D+00  0.168900D+01  0.131348D+01
      3   0.843822D+00  0.917575D+00 -0.348076D+01  0.772977D+00 -0.446651D+01
                81            82            83            84            85 
      1   0.772977D+00  0.749794D-01 -0.202446D+01 -0.509887D+01 -0.306918D+01
      2  -0.446651D+01 -0.202446D+01  0.133792D+01  0.812755D+00  0.178940D+01
      3   0.275606D+01 -0.509887D+01  0.812755D+00  0.836181D+00  0.178723D+01
                86            87            88            89            90 
      1   0.178940D+01  0.178723D+01 -0.583527D+01  0.148334D+01  0.955819D-01
      2   0.631993D+01  0.314454D+00  0.148334D+01  0.144852D+01 -0.302459D+01
      3   0.314454D+00 -0.318953D+01  0.955819D-01 -0.302459D+01  0.977574D+00
                91            92            93            94            95 
      1  -0.375844D+01  0.862469D+00  0.584724D+00 -0.147299D+01 -0.231459D+01
      2   0.862469D+00 -0.118393D+01 -0.520747D+00 -0.231459D+01  0.150947D+01
      3   0.584724D+00 -0.520747D+00 -0.222840D+01 -0.195427D+01 -0.418488D+01
                96            97            98            99           100 
      1  -0.195427D+01  0.440739D+01 -0.144460D+01 -0.504885D+01 -0.181305D+01
      2  -0.418488D+01 -0.144460D+01 -0.333285D+01 -0.620178D+00 -0.205960D+01
      3  -0.236791D+01 -0.504885D+01 -0.620178D+00 -0.744280D+00 -0.264347D+00
               101           102           103           104           105 
      1  -0.205960D+01 -0.264347D+00 -0.438946D+01 -0.226205D+01  0.215020D+01
      2  -0.107805D+01  0.258667D+00 -0.226205D+01 -0.234007D+01  0.255479D+01
      3   0.258667D+00  0.163052D+01  0.215020D+01  0.255479D+01 -0.144330D+01
               106           107           108           109           110 
      1  -0.312726D+00  0.966619D+00  0.178638D+01  0.534612D+01  0.371778D+01
      2   0.966619D+00  0.213773D+01 -0.577334D+00  0.371778D+01  0.229258D+01
      3   0.178638D+01 -0.577334D+00 -0.188219D+01 -0.151652D+01 -0.438689D+00
               111           112           113           114           115 
      1  -0.151652D+01  0.877619D+01  0.386523D+01 -0.184093D+01 -0.371180D+01
      2  -0.438689D+00  0.386523D+01  0.788425D+01 -0.170897D+01 -0.109543D+01
      3   0.546289D+00 -0.184093D+01 -0.170897D+01  0.312367D+01  0.173701D+01
               116           117           118           119           120 
      1  -0.109543D+01  0.173701D+01 -0.104956D+01 -0.105343D+01  0.214676D+01
      2  -0.220551D+01  0.226709D+01 -0.105343D+01  0.367984D-02 -0.638547D+00
      3   0.226709D+01 -0.221035D+01  0.214676D+01 -0.638547D+00 -0.290630D+01
               121           122           123           124           125 
      1  -0.461204D+01  0.204820D+01  0.453083D+00  0.297365D+01 -0.934770D+00
      2   0.204820D+01 -0.498285D+01 -0.162681D+01 -0.934770D+00  0.227437D+00
      3   0.453083D+00 -0.162681D+01 -0.122645D+01 -0.307938D+01 -0.451728D+00
               126           127           128           129           130 
      1  -0.307938D+01 -0.173653D+01  0.138618D+01 -0.120952D+01  0.143270D+01
      2  -0.451728D+00  0.138618D+01 -0.987596D+00  0.954925D+00 -0.154561D+01
      3   0.332575D+01 -0.120952D+01  0.954925D+00 -0.121910D+01  0.113059D+01
               131           132           133           134           135 
      1  -0.154561D+01  0.113059D+01 -0.176437D+01  0.156402D+01 -0.125579D+01
      2   0.402151D+01 -0.276189D+01  0.156402D+01 -0.276027D+01  0.217527D+01
      3  -0.276189D+01  0.280708D+01 -0.125579D+01  0.217527D+01 -0.238691D+01
               136           137           138           139           140 
      1   0.308451D+01  0.194208D+01 -0.385050D+00  0.285124D+01  0.261367D+01
      2   0.194208D+01  0.201657D+01 -0.356198D+00  0.261367D+01  0.435844D+01
      3  -0.385050D+00 -0.356198D+00  0.515625D+00 -0.957196D+00 -0.144218D+01
               141           142           143           144           145 
      1  -0.957196D+00 -0.726366D+00 -0.786584D+00  0.438384D+00  0.181167D+01
      2  -0.144218D+01 -0.786584D+00 -0.186585D+01  0.757862D+00 -0.146391D+01
      3   0.121025D+01  0.438384D+00  0.757862D+00 -0.662808D+00  0.144060D+01
               146           147           148           149           150 
      1  -0.146391D+01  0.144060D+01 -0.143404D+01  0.172862D+01 -0.123091D+01
      2   0.137457D+01 -0.116096D+01  0.172862D+01 -0.510916D+01  0.296846D+01
      3  -0.116096D+01  0.131986D+01 -0.123091D+01  0.296846D+01 -0.268794D+01
               151           152           153           154           155 
      1   0.142794D+01 -0.160701D+01  0.115564D+01 -0.304871D+01 -0.238376D+01
      2  -0.160701D+01  0.326078D+01 -0.215268D+01 -0.238376D+01 -0.280719D+01
      3   0.115564D+01 -0.215268D+01  0.190010D+01  0.493481D+00  0.363331D+00
               156           157           158           159           160 
      1   0.493481D+00 -0.301081D+01 -0.317789D+01  0.988041D+00  0.437406D+00
      2   0.363331D+00 -0.317789D+01 -0.582653D+01  0.143871D+01  0.644707D+00
      3  -0.282600D+00  0.988041D+00  0.143871D+01 -0.102731D+01 -0.330322D+00
               161           162           163           164           165 
      1   0.644707D+00 -0.330322D+00 -0.258785D+01 -0.161769D+01 -0.329708D+00
      2   0.196603D+01 -0.690061D+00 -0.161769D+01 -0.159035D+01 -0.711191D+00
      3  -0.690061D+00  0.459218D+00 -0.329708D+00 -0.711191D+00 -0.744444D+00
               166           167           168           169           170 
      1  -0.416155D+01 -0.263705D+01 -0.134341D+01  0.161950D+01 -0.577776D+00
      2  -0.263705D+01 -0.683294D+01 -0.250539D+01 -0.577776D+00 -0.993291D+00
      3  -0.134341D+01 -0.250539D+01 -0.172995D+01 -0.787566D+00 -0.106466D+01
               171           172           173           174           175 
      1  -0.787566D+00 -0.124448D+01  0.682857D+00 -0.110230D+01  0.362050D+01
      2  -0.106466D+01  0.682857D+00 -0.389277D+00  0.369406D-01 -0.922120D+00
      3  -0.137974D+01 -0.110230D+01  0.369406D-01 -0.989548D+00  0.874579D+00
               176           177           178           179           180 
      1  -0.922120D+00  0.874579D+00 -0.218639D+01  0.254351D+00 -0.235998D+01
      2   0.562842D+00 -0.142664D+01  0.254351D+00 -0.106407D+01  0.118570D+01
      3  -0.142664D+01  0.287421D+01 -0.235998D+01  0.118570D+01 -0.805035D+01
               181           182           183           184           185 
      1  -0.107974D+02 -0.107257D+01 -0.361035D+01 -0.198939D+01 -0.153054D+01
      2  -0.107257D+01 -0.113304D+01 -0.172517D+00 -0.153054D+01  0.572535D-01
      3  -0.361035D+01 -0.172517D+00 -0.221336D+01 -0.104118D+00 -0.521059D+00
               186           187           188           189           190 
      1  -0.104118D+00 -0.535552D+01  0.339406D-01 -0.264116D+01 -0.265189D+00
      2  -0.521059D+00  0.339406D-01 -0.621222D+00 -0.709015D+00  0.965987D+00
      3  -0.792214D+00 -0.264116D+01 -0.709015D+00 -0.211536D+01 -0.389940D+00
               191           192           193           194           195 
      1   0.965987D+00 -0.389940D+00  0.103935D+01 -0.616603D+00  0.202013D+00
      2  -0.293643D+00 -0.154690D-01 -0.616603D+00  0.295261D+01 -0.214196D+01
      3  -0.154690D-01 -0.221072D+00  0.202013D+00 -0.214196D+01  0.243893D+01
               196           197           198           199           200 
      1  -0.110021D+01  0.565107D+00 -0.507432D+00  0.560358D+01  0.382904D+00
      2   0.565107D+00 -0.362478D+01  0.322283D+01  0.382904D+00  0.185457D+01
      3  -0.507432D+00  0.322283D+01 -0.525108D+01  0.158351D+01  0.458448D+00
               201           202           203           204           205 
      1   0.158351D+01  0.904647D+00  0.579698D+00  0.217881D+00  0.221203D+01
      2   0.458448D+00  0.579698D+00  0.949032D+00  0.358229D+00  0.229612D+00
      3   0.142915D+01  0.217881D+00  0.358229D+00  0.752365D+00  0.909947D+00
               206           207           208           209           210 
      1   0.229612D+00  0.909947D+00 -0.597522D+01  0.351519D+01  0.252431D+01
      2   0.108672D+01  0.109322D+01  0.351519D+01 -0.316535D+01 -0.129745D+01
      3   0.109322D+01  0.127917D+01  0.252431D+01 -0.129745D+01 -0.179311D+01
               211           212           213           214           215 
      1   0.250492D+01 -0.255243D+01 -0.106228D+01  0.351524D+01 -0.204873D+01
      2  -0.255243D+01  0.257538D+01  0.111668D+01 -0.204873D+01  0.216301D+01
      3  -0.106228D+01  0.111668D+01  0.118097D+01 -0.220292D+01  0.192610D+01
               216           217           218           219           220 
      1  -0.220292D+01  0.722788D+01  0.344875D+00  0.924826D+00  0.299718D+00
      2   0.192610D+01  0.344875D+00  0.767171D+00 -0.114158D+00  0.252399D+00
      3   0.191123D+01  0.924826D+00 -0.114158D+00  0.252952D+01  0.123230D+00
               221           222           223           224           225 
      1   0.252399D+00  0.123230D+00  0.210167D+00 -0.331876D-02  0.170090D+01
      2  -0.402944D+00  0.416886D+00 -0.331876D-02  0.559483D+00  0.147577D+00
      3   0.416886D+00  0.746165D+00  0.170090D+01  0.147577D+00  0.239722D+01
               226           227           228           229           230 
      1  -0.112406D+01 -0.122214D+01  0.674145D+00 -0.201290D+01 -0.208973D+01
      2  -0.122214D+01 -0.143301D+01  0.715701D-01 -0.208973D+01 -0.832877D+01
      3   0.674145D+00  0.715701D-01 -0.416172D+00  0.429793D+00  0.877313D+00
               231           232           233           234           235 
      1   0.429793D+00  0.205634D+00 -0.143506D+00 -0.245199D+00 -0.681820D+01
      2   0.877313D+00 -0.143506D+00 -0.520556D+00 -0.576848D+00  0.907891D+00
      3  -0.129979D+01 -0.245199D+00 -0.576848D+00 -0.422976D-01  0.424400D+01
               236           237           238           239           240 
      1   0.907891D+00  0.424400D+01  0.253268D+01 -0.137834D+01 -0.157794D+01
      2  -0.123737D+01 -0.474698D+00 -0.137834D+01  0.454171D+00  0.808821D+00
      3  -0.474698D+00 -0.329849D+01 -0.157794D+01  0.808821D+00  0.191365D+01
               241           242           243           244           245 
      1   0.389759D+01 -0.568180D+00 -0.335056D+01 -0.229145D+00 -0.156073D+01
      2  -0.568180D+00  0.582468D+00  0.773256D+00 -0.156073D+01  0.811919D+00
      3  -0.335056D+01  0.773256D+00  0.372072D+01  0.361153D+00 -0.377656D+00
               246           247           248           249           250 
      1   0.361153D+00 -0.277760D+01  0.140493D+01 -0.761921D+00  0.711917D+00
      2  -0.377656D+00  0.140493D+01 -0.434511D+01  0.193392D+01 -0.534547D+00
      3   0.703766D+00 -0.761921D+00  0.193392D+01 -0.193667D+01  0.135213D+01
               251           252           253           254           255 
      1  -0.534547D+00  0.135213D+01 -0.705265D+01 -0.149541D+01 -0.590098D+01
      2   0.205056D+01 -0.138458D+01 -0.149541D+01  0.686802D+00 -0.446281D+00
      3  -0.138458D+01  0.243396D+01 -0.590098D+01 -0.446281D+00  0.129863D+01
               256           257           258           259           260 
      1   0.267058D+01  0.227954D+01  0.114086D+01 -0.311099D+01  0.544141D+00
      2   0.227954D+01 -0.122438D+01  0.374662D+01  0.544141D+00  0.363021D+01
      3   0.114086D+01  0.374662D+01  0.266402D+01  0.270045D+01  0.121757D+01
               261           262           263           264           265 
      1   0.270045D+01  0.449446D+01 -0.146814D+01 -0.314162D+01  0.507291D+00
      2   0.121757D+01 -0.146814D+01  0.119521D+01  0.940255D+00  0.514786D+00
      3  -0.650730D+00 -0.314162D+01  0.940255D+00  0.296480D+01 -0.472375D+00
               266           267           268           269           270 
      1   0.514786D+00 -0.472375D+00 -0.434897D+01  0.140153D+01  0.427692D+01
      2  -0.681160D+00 -0.453968D+00  0.140153D+01 -0.158131D+01 -0.155934D+01
      3  -0.453968D+00  0.375328D+00  0.427692D+01 -0.155934D+01 -0.538625D+01
               271           272           273           274           275 
      1   0.272460D+00  0.755229D+00  0.125813D+00  0.153626D+01  0.654682D-01
      2   0.755229D+00 -0.703911D+00 -0.146171D-01  0.654682D-01  0.575384D+01
      3   0.125813D+00 -0.146171D-01 -0.387382D+00  0.280989D+00 -0.501124D+00
               276           277           278           279           280 
      1   0.280989D+00 -0.851988D+00 -0.125516D+00 -0.516653D+00  0.110339D+02
      2  -0.501124D+00 -0.125516D+00 -0.202120D+01  0.294522D+00  0.205232D+01
      3   0.137621D+01 -0.516653D+00  0.294522D+00 -0.115689D+01  0.509190D+01
               281           282           283           284           285 
      1   0.205232D+01  0.509190D+01  0.431983D+00  0.104345D+01  0.230636D+00
      2   0.154299D+01  0.127447D+01  0.104345D+01  0.607143D+00  0.369777D+00
      3   0.127447D+01  0.351724D+01  0.230636D+00  0.369777D+00 -0.117658D+00
               286           287           288           289           290 
      1   0.369798D+01  0.734970D+00  0.269540D+01 -0.177696D+01  0.169066D+00
      2   0.734970D+00  0.314277D+00  0.650587D+00  0.169066D+00 -0.933549D+00
      3   0.269540D+01  0.650587D+00  0.279768D+01  0.215564D+01 -0.592468D+00
               291           292           293           294           295 
      1   0.215564D+01 -0.535990D+00 -0.478057D+00 -0.893128D-01  0.215598D+01
      2  -0.592468D+00 -0.478057D+00  0.180824D+00  0.321070D+00 -0.817158D-01
      3  -0.346630D+01 -0.893128D-01  0.321070D+00 -0.759901D+00 -0.160440D+01
               296           297 
      1  -0.817158D-01 -0.160440D+01
      2   0.727794D+00  0.652569D+00
      3   0.652569D+00  0.609107D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.109956D+01  0.334950D+01 -0.273401D+00  0.527324D+01  0.767355D+00
      2   0.460598D+01 -0.432451D+01  0.445043D+01 -0.991956D+00 -0.538761D+01
      3  -0.138638D+02 -0.721758D+01  0.243532D+01 -0.149119D+01 -0.216852D+01
                 6             7             8             9            10 
      1  -0.228819D+01  0.515247D+01  0.277280D+01  0.125287D+01 -0.402576D+01
      2   0.202298D+01 -0.118331D+02 -0.319959D+01  0.997950D+00 -0.688819D+01
      3   0.125394D+01  0.553157D+01  0.113438D+01 -0.569645D+00  0.188463D+02
                11            12            13            14            15 
      1  -0.214632D+01  0.501708D+00 -0.937308D+01  0.498705D+01 -0.123062D+01
      2   0.126719D+01 -0.234368D+01  0.693900D+01  0.424451D+01 -0.197852D+01
      3   0.132730D+01  0.154558D+01  0.193745D+02  0.238993D+01  0.181975D+01
                16            17            18            19            20 
      1   0.279685D+01  0.646902D+01 -0.570839D+01 -0.153719D+00 -0.117373D+01
      2  -0.148165D+02 -0.193061D+01 -0.122856D+00  0.471237D+01 -0.389481D+00
      3  -0.190924D+01  0.137355D+01  0.122916D+01  0.702951D+01 -0.420226D+01
                21            22            23            24            25 
      1  -0.527016D-01 -0.172718D+01 -0.217955D+01 -0.287928D+01 -0.653152D+01
      2   0.110988D+01 -0.594151D+01  0.208398D+01 -0.884808D+00 -0.100332D+02
      3   0.283281D+01 -0.105852D+01  0.584305D+00 -0.160406D+01  0.949056D+01
                26            27            28            29            30 
      1   0.193777D+01 -0.394766D+01  0.224766D+01 -0.438124D+01  0.365309D+01
      2   0.156811D+01 -0.309676D+01  0.561029D+01  0.215337D+01  0.426920D+00
      3  -0.178571D+01  0.488024D+01 -0.147875D+02  0.432118D+00 -0.428062D+01
                31            32            33            34            35 
      1  -0.698761D+01  0.433822D+01 -0.822855D+00  0.759136D+01  0.677656D+01
      2   0.490581D+01  0.460213D+01  0.147532D+01 -0.104565D+02 -0.106023D+01
      3   0.212894D+02  0.378473D+01  0.206335D+01 -0.815143D+01  0.120961D+01
                36            37            38            39            40 
      1  -0.220000D+01 -0.352434D+01  0.112928D+01 -0.793621D+00  0.882280D+00
      2  -0.504611D+01  0.143895D+00 -0.432033D+01  0.371562D+01 -0.594899D+00
      3  -0.594117D+01  0.449400D+01 -0.405569D+01  0.551948D+01  0.131155D+02
                41            42            43            44            45 
      1   0.295693D+00 -0.233455D+01  0.359146D+01  0.120563D+01  0.470699D+01
      2  -0.435096D+01 -0.329080D+00 -0.966752D+01 -0.317664D+01  0.102739D+01
      3  -0.161321D+00  0.353244D+01  0.451100D+01  0.433470D+00  0.621528D+00
                46            47            48            49            50 
      1   0.479173D+01  0.100445D+01 -0.224145D+01 -0.485977D+01 -0.817691D+00
      2   0.704626D+01 -0.976391D+00  0.142912D+01 -0.819678D+01  0.218879D+01
      3  -0.627659D+01 -0.385367D+01 -0.209129D+01  0.998176D+01 -0.704020D+00
                51            52            53            54            55 
      1  -0.395438D+01 -0.642361D+01  0.268773D+01 -0.145840D+01  0.263158D+01
      2   0.101671D+00 -0.675079D+01  0.298844D+01 -0.293323D+01  0.219517D+02
      3   0.147116D+01 -0.569713D+01 -0.314655D+01  0.114598D+01 -0.157792D+02
                56            57            58            59            60 
      1  -0.503835D+00 -0.139508D+01 -0.356967D+01 -0.671257D+01 -0.693679D+01
      2  -0.484500D+01 -0.385445D+01 -0.975116D+01 -0.100306D+01  0.116942D+02
      3   0.540794D+01  0.354873D+01  0.230746D+02  0.138536D+02  0.653646D+01
                61            62            63            64            65 
      1  -0.176463D+01 -0.120109D+01  0.726514D+01 -0.243706D+01 -0.501395D-01
      2  -0.258797D+02  0.108625D+02 -0.108658D+02 -0.332477D+02  0.470438D+01
      3   0.840127D+01  0.226711D+01 -0.114059D+02  0.190005D+02 -0.912193D+01
                66            67            68            69            70 
      1   0.440516D+00  0.431559D+01  0.598560D+00 -0.380195D+01 -0.229815D+00
      2   0.318522D+01  0.114216D+02  0.108620D+01 -0.147490D+02  0.464798D+01
      3  -0.284382D+01 -0.381534D+01 -0.211468D+02 -0.434076D+01 -0.123563D+02
                71            72            73            74            75 
      1   0.323182D+01 -0.470449D+00  0.924222D+01 -0.273875D+01 -0.896939D+00
      2  -0.164152D+02  0.794515D+01  0.202335D+02 -0.442950D+01  0.798157D+00
      3  -0.554454D+01  0.167987D+02 -0.168789D+02 -0.276691D+01 -0.437592D+01
                76            77            78            79            80 
      1  -0.187712D+01 -0.259950D+01  0.631878D+01 -0.309119D+01  0.128985D+02
      2  -0.384120D+01 -0.333389D+01  0.134843D+02 -0.542750D+01  0.174161D+02
      3  -0.232578D+01  0.168480D+02  0.575356D+01 -0.484151D+01  0.883221D+01
                81            82            83            84            85 
      1  -0.612346D+01 -0.554486D+01  0.288154D+01  0.239999D+01  0.519616D+01
      2  -0.107751D+02  0.255489D+02 -0.229548D+01  0.786997D+01 -0.530542D+01
      3  -0.175028D+02 -0.825139D+01  0.508165D+01  0.829004D+01  0.113060D+02
                86            87            88            89            90 
      1   0.115489D+02 -0.472431D+01  0.310897D+01  0.147272D+01 -0.439556D+01
      2  -0.314164D+01  0.118899D+02  0.648643D+01  0.116015D+02 -0.515697D+01
      3   0.259538D+02  0.554330D+00  0.117319D+02  0.569231D+01 -0.136574D+02
                91            92            93            94            95 
      1  -0.163725D+01 -0.213759D+01 -0.387839D+00 -0.523391D+01  0.147728D+01
      2   0.118434D+02 -0.134036D+01 -0.170578D+01 -0.353754D+01 -0.106827D+02
      3  -0.133146D+01 -0.985054D+00  0.134230D+01  0.143713D+02 -0.556079D+01
                96            97            98            99           100 
      1  -0.846508D+01  0.139736D+01  0.180024D-01  0.123141D+00  0.192900D+01
      2  -0.447605D+01 -0.290566D+02 -0.174201D+01  0.116210D+01 -0.230308D+02
      3   0.140316D+02  0.349386D+01  0.117503D+02  0.317130D+01  0.491212D+01
               101           102           103           104           105 
      1   0.623610D+01  0.247766D+01  0.350045D+01  0.201179D+01  0.520946D+01
      2   0.301936D+01  0.887197D+01  0.882122D+01  0.883275D+01 -0.726457D+01
      3   0.753961D+00 -0.140346D+01  0.755049D+01  0.121782D+02 -0.104057D+02
               106           107           108           109           110 
      1  -0.106352D+01  0.458616D+01  0.625199D-01 -0.138573D+01 -0.307010D+01
      2  -0.140034D+01 -0.282201D+01  0.664510D+01  0.106991D+01 -0.137737D+01
      3  -0.937579D+00 -0.169458D+02  0.689127D+00 -0.104962D+02 -0.113501D+02
               111           112           113           114           115 
      1  -0.300076D+01 -0.101988D+00 -0.533714D+01 -0.714987D+01 -0.805113D+00
      2   0.508259D+01 -0.892742D+01 -0.779548D+01  0.132516D+02  0.649905D+01
      3   0.144187D+01 -0.572524D+01 -0.327324D+02  0.586089D+01 -0.581191D+00
               116           117           118           119           120 
      1   0.327859D+01  0.142541D+01  0.299371D+01 -0.852807D+00 -0.110352D+01
      2   0.918331D+01 -0.124607D+02  0.964943D+01 -0.367046D+01 -0.745849D+01
      3   0.118471D+02 -0.851757D+01  0.478950D+01 -0.210177D+01  0.390231D+00
               121           122           123           124           125 
      1   0.261891D+01  0.369123D+01 -0.693880D+01 -0.228344D+01  0.163623D+01
      2   0.214014D+01 -0.508699D+01 -0.590848D+01 -0.987932D+01 -0.239625D+01
      3  -0.452574D+00  0.198910D+02  0.413563D+01  0.274000D+01  0.134520D+01
               126           127           128           129           130 
      1   0.294297D+01 -0.854293D+00  0.948982D+00  0.962936D+00  0.132389D+01
      2   0.935722D+01 -0.301500D+01  0.106378D+01 -0.724472D-01  0.212748D+01
      3   0.505084D+01 -0.303130D+01  0.484978D+00 -0.498175D+00  0.254588D+01
               131           132           133           134           135 
      1  -0.329928D+01 -0.131109D+01 -0.132992D+01  0.396217D+01 -0.180691D+00
      2   0.286311D+00 -0.178102D+01 -0.390099D+01  0.251792D+00  0.100686D+01
      3   0.150848D+01 -0.649128D+00 -0.213210D+01 -0.882972D+00  0.201079D+00
               136           137           138           139           140 
      1  -0.158367D+01 -0.235366D+01 -0.157304D+01 -0.120699D+01 -0.160304D+01
      2   0.346249D+01  0.164226D+01  0.811487D+00  0.265892D+01  0.142877D+01
      3   0.502753D+01  0.342300D+00 -0.292370D+00  0.503881D+01 -0.108293D+01
               141           142           143           144           145 
      1  -0.276091D+01 -0.300679D+00  0.181511D+01  0.102218D-01  0.169746D+01
      2   0.132690D+01 -0.971128D+00 -0.389450D+00 -0.624022D+00 -0.115840D+01
      3  -0.117922D+00  0.484602D+00  0.126731D+01  0.250804D+00 -0.435223D+01
               146           147           148           149           150 
      1  -0.566215D+00  0.267091D+01 -0.756213D+00  0.432549D+00 -0.453120D+01
      2   0.154400D+00  0.505486D+00  0.916803D+00  0.647577D+00 -0.198413D+01
      3   0.922379D+00 -0.188560D+01  0.363282D+01  0.118702D+00  0.838116D+00
               151           152           153           154           155 
      1   0.585002D+00  0.141836D+01  0.201016D+01  0.653682D+00 -0.643671D+00
      2  -0.254694D+01 -0.116626D+00  0.674937D+00  0.138011D+01  0.566473D+00
      3  -0.333640D+01  0.668594D+00 -0.123198D+01  0.619017D+01  0.566764D+00
               156           157           158           159           160 
      1  -0.189551D+01  0.175545D+01  0.165550D+01 -0.399433D+01 -0.211883D+00
      2   0.103561D+01  0.134076D+00  0.199081D+00  0.181382D+01 -0.127105D+01
      3  -0.787185D+00  0.562806D+01 -0.128676D+01 -0.524131D+00  0.205476D+00
               161           162           163           164           165 
      1   0.801043D+00  0.815797D+00  0.192339D+01  0.191663D+01 -0.162266D+00
      2   0.177369D+00 -0.651410D+00 -0.304865D+01 -0.864160D-01  0.319948D+01
      3   0.122911D+01  0.102698D-01 -0.435476D+01 -0.553687D+01 -0.207247D+01
               166           167           168           169           170 
      1   0.254967D+01  0.890100D+01 -0.525388D+00  0.598680D+00  0.185285D+01
      2  -0.141644D+01  0.370762D+01  0.432232D+01  0.261959D+01  0.202552D+01
      3  -0.261567D+01 -0.210755D+02 -0.746351D+01 -0.330848D+01 -0.301140D+01
               171           172           173           174           175 
      1   0.144763D-02 -0.168811D+01  0.903750D+00 -0.445543D+00  0.156683D+01
      2   0.352390D+01  0.242785D+01  0.521927D+00  0.290776D+01  0.251155D+01
      3  -0.256976D+01  0.428245D+01 -0.316623D+01  0.105415D+01 -0.357078D+01
               176           177           178           179           180 
      1  -0.246799D+01  0.272195D+01 -0.170919D+01  0.542802D+01 -0.649620D+01
      2   0.315857D+01 -0.865438D+01  0.202758D+01 -0.335629D+01  0.230529D+02
      3   0.226141D+01 -0.545075D+01  0.191901D+01 -0.431231D+01  0.653530D+01
               181           182           183           184           185 
      1   0.312378D+00  0.117286D+01 -0.309882D-01  0.211845D+00  0.577912D-01
      2   0.872588D+01  0.301353D-01  0.109838D+02 -0.124408D+01  0.136029D+01
      3  -0.366262D+01 -0.823510D+01 -0.347630D+00 -0.460311D+01  0.794427D+00
               186           187           188           189           190 
      1  -0.744980D+00 -0.815187D-01  0.160957D+01  0.223886D+00  0.382385D+00
      2   0.374352D+01  0.564787D+01  0.357119D+01  0.801146D+01  0.167080D+01
      3  -0.210052D+01  0.144681D+01 -0.325826D+01 -0.322012D+01  0.507491D+01
               191           192           193           194           195 
      1   0.788081D-01  0.100669D+00 -0.198998D+00  0.302824D+01 -0.675169D+01
      2   0.255702D+00  0.117376D+01  0.269567D+00  0.794453D+01 -0.921756D+01
      3  -0.187647D+00 -0.689301D+00  0.153696D+01  0.107921D+02 -0.879772D+01
               196           197           198           199           200 
      1   0.302799D+00 -0.317322D+01  0.116986D+02 -0.285896D+01 -0.149242D+00
      2  -0.123932D+01 -0.117969D+02  0.201785D+02 -0.852100D+01 -0.188182D+01
      3  -0.126593D+01 -0.146238D+02  0.132470D+02  0.191105D+02  0.690946D+01
               201           202           203           204           205 
      1  -0.374362D+01 -0.392267D+00 -0.846398D+00 -0.228973D+01 -0.245629D+01
      2  -0.436090D+01 -0.843957D+00 -0.158183D+01 -0.218772D+01 -0.608564D+01
      3   0.585628D+01  0.701121D+01  0.410367D+01  0.241045D+01  0.602265D+01
               206           207           208           209           210 
      1  -0.475250D+00 -0.249478D+01 -0.554279D+01  0.180889D+01  0.510644D+01
      2  -0.386148D+01 -0.417681D+01 -0.996165D+01  0.524836D+01  0.935841D+01
      3   0.430107D+01  0.682173D+01  0.289230D+01 -0.929454D+01 -0.478261D+00
               211           212           213           214           215 
      1   0.280526D+01 -0.206086D+01 -0.398961D+01  0.464029D+01 -0.219720D+01
      2   0.358816D+01 -0.461535D+01 -0.564845D+01  0.738371D+01 -0.779888D+01
      3  -0.329629D+01  0.658918D+01  0.235475D+01 -0.286020D+00  0.644482D+01
               216           217           218           219           220 
      1  -0.454375D+01 -0.789752D-01  0.246824D+01  0.138862D+01  0.122041D+01
      2  -0.863474D+01 -0.212265D+02  0.245970D+00 -0.116413D+02 -0.173770D+00
      3   0.442295D+01 -0.538042D+01  0.189143D+01 -0.154153D+01  0.344952D+01
               221           222           223           224           225 
      1  -0.183904D+00 -0.216040D+00  0.149133D+01  0.206973D+01  0.161976D+01
      2  -0.235595D+01 -0.306606D+01 -0.111716D+02 -0.712416D+00 -0.123271D+02
      3  -0.202649D+01  0.130438D+01 -0.525919D+00  0.108385D+01 -0.116462D+01
               226           227           228           229           230 
      1  -0.977970D+00 -0.197269D+01 -0.573222D+00 -0.217201D+01 -0.119653D+02
      2  -0.273521D+01  0.873778D+00  0.155590D+01  0.824566D+00 -0.278760D+01
      3  -0.467990D+01 -0.557756D+01 -0.217232D+00 -0.330703D+01 -0.347076D+02
               231           232           233           234           235 
      1  -0.337271D+01 -0.169870D+00 -0.797667D-01 -0.103144D+01  0.464146D+01
      2   0.589996D+01 -0.762089D+00  0.223294D+01  0.835472D+00 -0.894175D+01
      3   0.307659D+01 -0.615627D+00 -0.236135D+01 -0.216544D+01  0.839432D+01
               236           237           238           239           240 
      1  -0.380364D+01 -0.287091D+01 -0.293424D+01  0.187431D+01  0.115995D+01
      2   0.568201D+00  0.111979D+02  0.297442D+01 -0.187842D+01 -0.736918D+01
      3  -0.853254D+01 -0.480285D+01 -0.685139D+01  0.341547D+01  0.413541D+01
               241           242           243           244           245 
      1  -0.392287D+01  0.330079D+01  0.343723D+01 -0.204858D+01  0.105818D+01
      2   0.648549D+01 -0.243304D+01 -0.131358D+02  0.139384D+01  0.229805D+00
      3  -0.524917D+01  0.414708D+01  0.561014D+01  0.530294D+01 -0.254553D+01
               246           247           248           249           250 
      1  -0.236904D+00  0.997438D+00 -0.510208D+01 -0.669666D+00 -0.699340D+00
      2   0.263794D+01  0.636939D+00  0.476894D+01 -0.479761D+01  0.164301D+01
      3   0.150091D+01  0.335810D+00  0.129666D+02 -0.549187D+01  0.108179D+01
               251           252           253           254           255 
      1   0.318515D+01 -0.433947D+00  0.396828D+01  0.375310D+01 -0.371239D+01
      2  -0.346854D+01  0.562985D+01 -0.466719D+01  0.116765D+01  0.180623D+02
      3  -0.644034D+01  0.373814D+01 -0.431037D+01 -0.702211D+01 -0.631456D+01
               256           257           258           259           260 
      1   0.435166D+01 -0.966062D+01  0.428342D+01 -0.976332D+00  0.939356D+01
      2   0.185417D+01  0.920027D+01  0.672364D+01  0.146572D+02  0.369247D+01
      3  -0.765050D+01  0.619600D+01 -0.133614D+02 -0.756365D+01 -0.121700D+02
               261           262           263           264           265 
      1   0.571269D+01 -0.268923D+01 -0.652192D+00  0.293705D+01  0.766576D-01
      2  -0.641936D+01 -0.846303D+01  0.354328D+01  0.102848D+02 -0.157305D+01
      3  -0.244735D+01  0.115506D+01 -0.412968D+01 -0.611961D+00 -0.115867D+01
               266           267           268           269           270 
      1  -0.920611D+00 -0.210471D+00  0.393817D+01  0.663412D+00 -0.503223D+01
      2  -0.150271D+01  0.153223D+01  0.123530D+02 -0.524002D+01 -0.198308D+02
      3   0.135090D+01  0.145406D+01 -0.927290D+00  0.560770D+01  0.195641D+01
               271           272           273           274           275 
      1   0.245829D+01 -0.172183D+01  0.144600D+01 -0.988662D+00  0.133751D+02
      2   0.141774D+00 -0.105559D+01 -0.103146D+01 -0.143967D+01 -0.135291D+01
      3  -0.361115D+01  0.274769D+01 -0.659730D+00  0.408290D+01 -0.173070D+02
               276           277           278           279           280 
      1  -0.608355D+01  0.140184D+01 -0.406969D+01  0.479439D+01 -0.133375D+01
      2   0.328017D+01 -0.171091D+01  0.905600D+00 -0.267805D+01 -0.523888D+01
      3   0.239588D+01 -0.276614D+01  0.644241D+01 -0.206860D+01  0.495264D+01
               281           282           283           284           285 
      1   0.335284D+01 -0.181900D+01  0.174216D+01  0.144236D+01 -0.534669D+00
      2   0.782868D+00  0.455881D+01 -0.211438D+00 -0.943488D+00 -0.431575D+00
      3  -0.579132D+01  0.729084D+00 -0.145700D+01 -0.158327D+01 -0.250324D+00
               286           287           288           289           290 
      1  -0.167382D+01  0.112432D+01 -0.210684D+01 -0.260775D+01 -0.314549D+01
      2  -0.106539D+00  0.538890D+00  0.473493D+01  0.123598D+02 -0.137948D+01
      3   0.219724D+01 -0.142987D+01  0.625620D+00 -0.349868D+01  0.174315D+01
               291           292           293           294           295 
      1   0.312311D+01 -0.184249D+01 -0.393103D+00  0.164683D+00  0.221964D+01
      2  -0.130904D+02  0.126588D+01  0.206031D+01 -0.183425D+01 -0.115282D+02
      3   0.403992D+01  0.209818D+01 -0.944124D+00 -0.590606D+00  0.319338D+01
               296           297 
      1   0.266356D+01 -0.581221D+01
      2   0.180761D+01  0.203175D+02
      3  -0.116419D+01 -0.454399D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.285689D+01  0.158051D+02 -0.554901D+01 -0.264453D+02  0.148191D+02
      2   0.627246D+01 -0.141105D+02  0.741700D+01  0.172367D+02 -0.416117D+01
      3  -0.341557D+01 -0.169455D+01 -0.186799D+01  0.920861D+01 -0.106579D+02
      4   0.126221D+02  0.454233D+01  0.590013D+01  0.156161D+02 -0.200967D+00
      5  -0.884001D+01  0.778920D+01 -0.618524D+01 -0.661765D+01 -0.277533D+01
      6   0.880720D+01  0.229018D+01  0.300159D+00 -0.498997D+01  0.899566D+01
                 6             7             8             9            10 
      1  -0.127753D+02  0.100535D+02  0.391051D+01 -0.107882D+02  0.570992D+02
      2   0.717111D+01 -0.761216D+01  0.186633D+01 -0.102686D+02 -0.303435D+02
      3   0.560418D+01 -0.244131D+01 -0.577684D+01  0.210568D+02 -0.267556D+02
      4  -0.279521D+01  0.891772D+01 -0.710924D+01  0.350444D+01 -0.263535D+01
      5  -0.185030D+01  0.435305D+01  0.345587D+01 -0.213481D+01  0.544640D+01
      6  -0.588922D+01  0.636510D+01 -0.104404D+01  0.368782D+01  0.534628D+00
                11            12            13            14            15 
      1  -0.264283D+01  0.489172D+01 -0.110746D+02 -0.169616D+02  0.620285D+01
      2   0.651318D+01 -0.498997D+01  0.317887D+01  0.126471D+02 -0.117551D+02
      3  -0.387035D+01  0.982596D-01  0.789576D+01  0.431455D+01  0.555222D+01
      4   0.667137D+01 -0.481781D+01 -0.133274D+02  0.326649D+01  0.277734D+00
      5  -0.412588D+01  0.153369D+01  0.123859D+02 -0.633986D+00  0.189975D+01
      6   0.177642D+01 -0.779086D+00 -0.165095D+01 -0.484937D+01  0.524684D+01
                16            17            18            19            20 
      1  -0.132053D+01  0.770005D+01 -0.598355D+01  0.183636D+01 -0.160689D+02
      2  -0.188713D+01 -0.238359D+01 -0.195338D+01 -0.952531D+01  0.724719D+01
      3   0.320767D+01 -0.531646D+01  0.793693D+01  0.768895D+01  0.882170D+01
      4   0.147188D+02  0.365330D+01  0.942398D-01 -0.148222D+02 -0.706215D+01
      5   0.111373D+02  0.511344D+00  0.423238D+01  0.225550D+01 -0.354026D+01
      6   0.101265D+02  0.118359D+02  0.530181D+01 -0.603503D+01 -0.582716D+01
                21            22            23            24            25 
      1   0.131793D+02  0.176027D+02  0.164141D+01 -0.295771D+01 -0.112778D+02
      2  -0.165190D+01 -0.120798D+02 -0.118647D+01  0.356158D+01  0.115813D+02
      3  -0.115274D+02 -0.552293D+01 -0.454931D+00 -0.603879D+00 -0.303442D+00
      4  -0.111256D+01  0.728045D+01 -0.505814D+01  0.604806D+01 -0.936202D+01
      5   0.753726D+01  0.303874D+01  0.713757D+01 -0.214796D+01  0.755750D+01
      6   0.150787D+01  0.128091D+02  0.848660D+01  0.495094D+01 -0.787410D+01
                26            27            28            29            30 
      1  -0.146810D+02 -0.447353D+00  0.889320D+01  0.353934D+01  0.183964D+01
      2   0.150078D+02 -0.531064D+01 -0.832555D+01 -0.418847D+01 -0.258850D+01
      3  -0.326879D+00  0.575800D+01 -0.567649D+00  0.649138D+00  0.748861D+00
      4  -0.675978D+00 -0.318521D+01 -0.117361D+01  0.608952D+01 -0.152723D+01
      5  -0.186809D+01 -0.513201D+01  0.453142D+01 -0.116338D+01  0.389612D+01
      6  -0.188168D+00 -0.446763D+00  0.748554D+01  0.214644D+01 -0.209661D+01
                31            32            33            34            35 
      1  -0.784334D+01 -0.163383D+02  0.491895D+01 -0.552698D+01  0.841327D+01
      2  -0.175677D+01  0.941627D+01 -0.128445D+02  0.667622D+00 -0.638957D+01
      3   0.960011D+01  0.692208D+01  0.792555D+01  0.485936D+01 -0.202370D+01
      4  -0.118936D+02 -0.178162D+01  0.713714D+00  0.164599D+02  0.323167D+01
      5   0.130488D+02  0.120865D+01  0.573261D+01  0.127941D+02  0.196717D+01
      6  -0.630573D+01 -0.674324D+01  0.379090D+01  0.395676D+01  0.998680D+01
                36            37            38            39            40 
      1  -0.328182D+01  0.830532D+01  0.226937D+02 -0.267796D+01 -0.161388D+02
      2  -0.604726D+00  0.294590D+01 -0.224938D+02  0.562041D+01  0.141064D+02
      3   0.388654D+01 -0.112512D+02 -0.199882D+00 -0.294245D+01  0.203233D+01
      4   0.156458D+01  0.803932D+01 -0.112150D+01  0.624764D+01  0.107423D+02
      5  -0.109658D+01 -0.776700D+01  0.889451D+01 -0.682987D+01 -0.365465D+00
      6   0.305497D+01  0.571161D+01 -0.305350D+01 -0.910039D+00 -0.831740D+01
                41            42            43            44            45 
      1   0.624643D+01 -0.103430D+02  0.679638D+01 -0.191594D+01 -0.863547D+01
      2   0.371439D+01  0.103723D+02 -0.982527D+01  0.717257D+01 -0.617956D+01
      3  -0.996082D+01 -0.292846D-01  0.302889D+01 -0.525663D+01  0.148150D+02
      4   0.127521D+01 -0.463098D+01  0.459092D+01 -0.109547D+02  0.432885D+01
      5  -0.406620D+01 -0.334677D+01  0.842676D+01  0.440192D+01 -0.147885D+01
      6   0.124675D+02 -0.639059D+01  0.570513D+01  0.170632D+01 -0.132376D+01
                46            47            48            49            50 
      1  -0.923378D+00 -0.177030D+02  0.802184D+01  0.247625D+02 -0.552266D+01
      2  -0.771268D+01  0.974387D+01 -0.400256D+01 -0.193142D+02  0.445324D+01
      3   0.863606D+01  0.795914D+01 -0.401928D+01 -0.544834D+01  0.106942D+01
      4  -0.111448D+02 -0.967446D+01 -0.891218D+00  0.164869D+01 -0.637061D+01
      5  -0.358795D+01 -0.358729D+01  0.919989D+01  0.790332D+01  0.559570D+01
      6  -0.364851D+01 -0.806514D+01  0.549642D+01  0.108444D+02  0.124362D+02
                51            52            53            54            55 
      1  -0.237535D+01 -0.276178D+02 -0.213370D+02  0.681189D+00 -0.478522D+02
      2   0.442026D+01  0.166718D+02  0.228854D+02 -0.247275D+01  0.202351D+02
      3  -0.204491D+01  0.109459D+02 -0.154847D+01  0.179156D+01  0.276171D+02
      4   0.587847D+01 -0.868518D+01  0.154637D+01  0.851230D+00  0.118892D+02
      5   0.161869D+00  0.106203D+02 -0.150191D+01 -0.372996D+01  0.178072D+02
      6   0.661746D+01 -0.383827D+01  0.577674D+01  0.527997D+00  0.142966D+01
                56            57            58            59            60 
      1   0.100651D+02  0.131229D+02  0.263026D+02 -0.402912D+01 -0.103757D+02
      2  -0.490529D+01 -0.626255D+01 -0.209832D+02 -0.374903D+01 -0.623904D+01
      3  -0.515980D+01 -0.686031D+01 -0.531942D+01  0.777814D+01  0.166148D+02
      4  -0.163566D+02 -0.628317D+01 -0.258601D+02 -0.382536D+02 -0.166426D+02
      5  -0.682465D+01 -0.108545D+02 -0.100684D+02 -0.158979D+02  0.196127D+02
      6  -0.326260D+01 -0.143045D+01 -0.113991D+02 -0.138525D+02 -0.623189D+01
                61            62            63            64            65 
      1   0.388903D+02 -0.110311D+02  0.361844D+01 -0.401013D+02 -0.231692D+02
      2  -0.108450D+02 -0.274586D+01  0.141816D+02  0.247180D+02  0.962896D+01
      3  -0.280453D+02  0.137770D+02 -0.178000D+02  0.153833D+02  0.135402D+02
      4  -0.100114D+02 -0.678560D+01  0.150697D+02 -0.247553D+02  0.128994D+02
      5  -0.198669D+02  0.150494D+02 -0.320739D+02 -0.583519D+02  0.508935D+01
      6  -0.143602D+01 -0.338486D+01  0.559455D+01  0.571266D+00  0.537891D+00
                66            67            68            69            70 
      1  -0.542494D+02 -0.423113D+02  0.112796D+02  0.545085D+01 -0.852172D+02
      2   0.263104D+02  0.257463D+02 -0.121533D+02 -0.529584D+01  0.414672D+02
      3   0.279390D+02  0.165650D+02  0.873707D+00 -0.155018D+00  0.437499D+02
      4   0.601843D+01  0.834644D+01  0.398360D+02  0.618264D+01  0.138245D+02
      5  -0.445062D+01  0.940625D+01  0.489430D+01 -0.284378D+02 -0.826816D+01
      6   0.106206D+01  0.171227D+01 -0.338536D+00 -0.367190D+00 -0.330500D+01
                71            72            73            74            75 
      1   0.930035D+01 -0.140727D+02  0.881467D+01  0.259482D+02  0.381803D+02
      2  -0.645335D+01  0.105166D+02 -0.122115D+02 -0.885390D+01 -0.170783D+02
      3  -0.284700D+01  0.355607D+01  0.339682D+01 -0.170943D+02 -0.211019D+02
      4   0.117606D+02 -0.302474D+02  0.248685D+02 -0.243293D+02 -0.223831D+02
      5  -0.306559D+02  0.135053D+02  0.382825D+02 -0.137876D+02 -0.482667D+01
      6   0.126864D+01  0.260469D+01 -0.186398D+02  0.447041D+01 -0.240134D+00
                76            77            78            79            80 
      1   0.278846D+02 -0.162676D+02 -0.118963D+02  0.481808D+02 -0.206012D+02
      2  -0.122488D+02  0.204472D+02  0.766437D+01 -0.206437D+02  0.117921D+02
      3  -0.156358D+02 -0.417960D+01  0.423190D+01 -0.275371D+02  0.880905D+01
      4  -0.178502D+02 -0.182756D+02 -0.456844D+01 -0.284673D+02 -0.611445D+01
      5  -0.989056D+01 -0.466324D+01  0.283062D+02 -0.102374D+02  0.367233D+02
      6   0.351616D+01  0.542067D+01 -0.149370D+02  0.514537D+01 -0.171814D+02
                81            82            83            84            85 
      1   0.557425D+01  0.716746D+01  0.169481D+02  0.490456D+02  0.253307D+02
      2  -0.109079D+02  0.117497D+02 -0.122909D+02 -0.248698D+02 -0.214089D+02
      3   0.533363D+01 -0.189171D+02 -0.465714D+01 -0.241759D+02 -0.392178D+01
      4   0.371439D+02  0.187701D+02 -0.102913D+02 -0.527809D+01 -0.149481D+02
      5  -0.221611D+02  0.438950D+02 -0.106148D+02 -0.207634D+02 -0.212864D+02
      6   0.119392D+02 -0.321798D+01  0.235392D+01  0.308056D+01  0.323883D+01
                86            87            88            89            90 
      1  -0.109375D+02 -0.121629D+02  0.530815D+02 -0.751820D+01 -0.707811D+01
      2  -0.925157D+01  0.130182D+02 -0.281192D+02  0.997898D+01  0.382680D+01
      3   0.201891D+02 -0.855299D+00 -0.249623D+02 -0.246078D+01  0.325131D+01
      4  -0.571279D+02 -0.296241D+01 -0.999060D+01 -0.127431D+02  0.255686D+02
      5   0.696157D+00  0.286879D+02 -0.160241D+02  0.264666D+02 -0.490201D+01
      6   0.985505D+01  0.356307D+01  0.525645D+01  0.411388D+01 -0.943681D+01
                91            92            93            94            95 
      1   0.359994D+01  0.925546D+01  0.170475D+02  0.541512D+01  0.538013D+01
      2  -0.371232D+01 -0.458673D+01 -0.518921D+01  0.816340D+00  0.238114D+01
      3   0.112383D+00 -0.466873D+01 -0.118583D+02 -0.623147D+01 -0.776127D+01
      4   0.821100D+01 -0.428807D+01 -0.633798D+00 -0.127496D+02  0.120168D+02
      5   0.137453D+02 -0.522081D+00 -0.772493D+01 -0.100986D+02 -0.264829D+02
      6   0.738567D+00 -0.524560D+01 -0.936608D+00 -0.135490D+02  0.389411D+01
                96            97            98            99           100 
      1   0.363678D+01  0.311742D+02  0.997426D+00 -0.109039D+02 -0.546826D+01
      2   0.421137D+01 -0.128787D+02 -0.428043D+00  0.597689D+01 -0.289992D+00
      3  -0.784815D+01 -0.182955D+02 -0.569383D+00  0.492705D+01  0.575825D+01
      4  -0.259353D+02 -0.999023D+01 -0.213108D+02 -0.106944D+01 -0.147862D+02
      5  -0.947229D+01 -0.323557D+02 -0.883622D+00 -0.296895D+01  0.370532D+01
      6  -0.169190D+02 -0.431788D+01 -0.127383D+02 -0.516927D+01  0.131112D+01
               101           102           103           104           105 
      1  -0.105572D+02 -0.530326D+01 -0.290854D+02 -0.166301D+02  0.108051D+02
      2   0.523316D+01  0.108412D+01  0.187609D+02  0.202632D+01 -0.114157D+02
      3   0.532400D+01  0.421914D+01  0.103245D+02  0.146037D+02  0.610679D+00
      4  -0.166120D+02  0.285987D+01 -0.336731D+02 -0.189718D+02  0.203734D+02
      5   0.339354D+01  0.786144D+01  0.194242D+02  0.200610D+02 -0.165598D+02
      6   0.823885D+01 -0.730550D+00  0.985388D+01  0.376119D+01 -0.109608D+02
               106           107           108           109           110 
      1   0.908335D+01  0.594026D+01  0.152547D+02  0.471052D+02  0.258527D+02
      2  -0.226261D+00 -0.301784D+01 -0.931317D+01 -0.214326D+02 -0.969132D+01
      3  -0.885708D+01 -0.292242D+01 -0.594148D+01 -0.256725D+02 -0.161614D+02
      4   0.730146D+01  0.307197D+02 -0.638358D+01  0.357915D+02  0.300753D+02
      5   0.142136D+02 -0.602270D+01 -0.313307D+01 -0.180639D+02 -0.692753D+01
      6  -0.224409D+00 -0.580463D+01  0.662437D+00 -0.689908D+01 -0.592036D+01
               111           112           113           114           115 
      1  -0.109536D+02  0.480879D+02  0.134796D+02 -0.664065D+01 -0.189849D+02
      2   0.628433D+01 -0.210608D+02  0.571085D+01  0.483209D+01  0.122279D+02
      3   0.466929D+01 -0.270271D+02 -0.191904D+02  0.180855D+01  0.675700D+01
      4  -0.471110D+01  0.422024D+02  0.683822D+02 -0.151670D+02 -0.111352D+02
      5   0.125828D+02 -0.205739D+02 -0.153727D+02  0.273379D+02  0.216014D+02
      6   0.372464D+01 -0.707171D+01 -0.170228D+02  0.143846D+02  0.387169D+01
               116           117           118           119           120 
      1  -0.161316D+01  0.242809D+01 -0.731298D+00 -0.121152D+02  0.134036D+02
      2   0.894795D+00 -0.723980D+01  0.930166D+01  0.206587D+01 -0.123926D+02
      3   0.718367D+00  0.481171D+01 -0.857036D+01  0.100493D+02 -0.101101D+01
      4  -0.231567D+02  0.197328D+02 -0.996197D+01  0.958140D+01 -0.715392D+01
      5   0.190405D+02 -0.224919D+02  0.206860D+02 -0.396552D+01 -0.207237D+02
      6   0.142685D+02 -0.982860D+01 -0.224470D+01  0.308349D-01  0.310386D+01
               121           122           123           124           125 
      1  -0.245501D+02  0.364416D+01 -0.410533D+01  0.233316D+02 -0.109727D+02
      2   0.710564D+01  0.129926D+02  0.230187D+01 -0.191867D+02  0.531064D+01
      3   0.174445D+02 -0.166368D+02  0.180347D+01 -0.414492D+01  0.566204D+01
      4   0.307714D+02 -0.460371D+02 -0.131715D+02 -0.822517D+01 -0.100040D+01
      5   0.754566D+01 -0.104866D+02 -0.116515D+02 -0.259706D+02 -0.190601D+01
      6  -0.566002D+01  0.123362D+02  0.121960D+02  0.401614D+01  0.720445D+01
               126           127           128           129           130 
      1  -0.268001D+02  0.151267D+00  0.105323D+01 -0.286310D+01  0.309211D+01
      2   0.185812D+02 -0.896137D+00  0.227114D+00 -0.151266D+01 -0.242329D+01
      3   0.821892D+01  0.744869D+00 -0.128035D+01  0.437575D+01 -0.668814D+00
      4  -0.895086D+00 -0.686014D+01  0.688586D+01 -0.450821D+01  0.783628D+01
      5   0.287895D+02  0.455093D+01 -0.415538D+01  0.531328D+01 -0.427748D+01
      6   0.814798D+00 -0.472307D+01  0.490777D+01 -0.435195D+01  0.601644D+01
               131           132           133           134           135 
      1  -0.151140D+02  0.123512D+02 -0.819694D+00  0.896746D+01 -0.104884D+02
      2   0.110512D+02 -0.345792D+01 -0.957326D+00 -0.475725D+01  0.115323D+01
      3   0.406277D+01 -0.889330D+01  0.177702D+01 -0.421020D+01  0.933512D+01
      4  -0.111263D+02  0.646678D+01 -0.664457D+01  0.845267D+01 -0.679130D+01
      5   0.471969D+01 -0.460320D+01  0.524269D+01 -0.487659D+01  0.716529D+01
      6  -0.164011D+02  0.138587D+02 -0.554580D+01  0.121208D+02 -0.122457D+02
               136           137           138           139           140 
      1   0.270812D+01 -0.242942D+01  0.195466D+00 -0.235141D+01 -0.116915D+02
      2   0.167295D+01  0.541693D+01 -0.617903D+00  0.549422D+01  0.165555D+02
      3  -0.438106D+01 -0.298751D+01  0.422438D+00 -0.314281D+01 -0.486394D+01
      4   0.787815D+01  0.795211D+01 -0.171521D+01  0.102481D+02  0.128926D+02
      5  -0.479594D+01 -0.306123D+01  0.348318D+01 -0.597423D+01 -0.697856D+01
      6  -0.182036D+01 -0.225700D+01  0.233538D+01 -0.468478D+01 -0.876282D+01
               141           142           143           144           145 
      1   0.452756D+01  0.102866D+01  0.527740D+01 -0.302275D+01 -0.290368D+01
      2  -0.324593D+01 -0.183020D+01 -0.581898D+01  0.191561D+01  0.340732D+01
      3  -0.128163D+01  0.801540D+00  0.541573D+00  0.110714D+01 -0.503636D+00
      4  -0.349755D+01 -0.302405D+01 -0.293797D+01  0.262239D+01 -0.790790D+01
      5   0.538184D+01  0.333208D+01  0.311939D+01 -0.252853D+01  0.463411D+01
      6   0.640399D+01  0.273736D+01  0.506024D+01 -0.347249D+01 -0.633723D+01
               146           147           148           149           150 
      1   0.441927D+01 -0.430466D+01  0.615166D+01 -0.223844D+02  0.143318D+02
      2  -0.464595D+01  0.203969D+01 -0.695362D+01  0.250791D+02 -0.108303D+02
      3   0.226679D+00  0.226496D+01  0.801959D+00 -0.269477D+01 -0.350149D+01
      4   0.898837D+01 -0.589581D+01  0.856310D+01 -0.124907D+02  0.663762D+01
      5  -0.400164D+01  0.492687D+01 -0.391250D+01  0.339999D+01 -0.349855D+01
      6   0.659684D+01 -0.606009D+01  0.699265D+01 -0.196579D+02  0.153825D+02
               151           152           153           154           155 
      1  -0.461432D+01  0.142609D+02 -0.113174D+02  0.192231D+01 -0.367173D+01
      2   0.480784D+01 -0.141662D+02  0.695961D+01  0.704924D+01  0.126295D+02
      3  -0.193526D+00 -0.946823D-01  0.435774D+01 -0.897155D+01 -0.895774D+01
      4  -0.679021D+01  0.961172D+01 -0.661726D+01  0.148313D+02  0.155175D+02
      5   0.383018D+01 -0.362381D+01  0.466145D+01 -0.485136D+01 -0.361109D+01
      6  -0.583364D+01  0.137207D+02 -0.123653D+02 -0.147851D+01 -0.905543D+00
               156           157           158           159           160 
      1  -0.786810D+00 -0.166585D+01 -0.160109D+02  0.340206D+01  0.374552D+01
      2  -0.915518D+00  0.116470D+02  0.310217D+02 -0.526620D+01 -0.409094D+01
      3   0.170233D+01 -0.998119D+01 -0.150109D+02  0.186414D+01  0.345422D+00
      4  -0.274402D+01  0.171097D+02  0.239231D+02 -0.536034D+01 -0.301714D+01
      5   0.324945D+01 -0.658088D+01 -0.730662D+01  0.516520D+01  0.201573D+01
      6   0.259417D+01 -0.410576D+01 -0.774489D+01  0.626049D+01  0.262066D+01
               161           162           163           164           165 
      1   0.696132D+01 -0.287283D+01  0.130570D+02  0.733305D+01  0.281673D+00
      2  -0.101966D+02  0.317521D+01 -0.289397D+01 -0.212597D+01 -0.702994D+00
      3   0.323526D+01 -0.302377D+00 -0.101630D+02 -0.520708D+01  0.421322D+00
      4  -0.488469D+01  0.352048D+01  0.151240D+02  0.176391D+02  0.666034D+01
      5   0.371613D+01 -0.216583D+01  0.460179D+01  0.766094D+01  0.829291D+01
      6   0.477696D+01 -0.317623D+01  0.533590D+01  0.464775D+01  0.274505D+01
               166           167           168           169           170 
      1   0.133054D+02 -0.696757D+01 -0.261585D+01 -0.716472D+01 -0.125863D+01
      2  -0.192287D+01  0.173305D+02  0.276398D+01  0.242415D+01  0.480359D+00
      3  -0.113825D+02 -0.103630D+02 -0.148130D+00  0.474057D+01  0.778274D+00
      4   0.255247D+02  0.495857D+02  0.181860D+02  0.493283D+01  0.678064D+01
      5   0.130239D+02  0.177028D+02  0.126479D+02  0.732080D+01  0.717440D+01
      6   0.974424D+01  0.222452D+02  0.131042D+02  0.313835D+01  0.853133D+01
               171           172           173           174           175 
      1  -0.215034D+01  0.574139D+01 -0.365993D+01  0.540880D+01 -0.128032D+02
      2  -0.833064D+00 -0.738926D+01  0.232512D+01 -0.495264D+01  0.103515D+02
      3   0.298340D+01  0.164787D+01  0.133481D+01 -0.456161D+00  0.245173D+01
      4   0.770596D+01 -0.488424D+01  0.479498D+01 -0.583983D+00  0.659417D+01
      5   0.948300D+01  0.902024D+01 -0.155375D+01  0.139980D+02 -0.765145D+01
      6   0.541498D+01 -0.208105D+01  0.104662D+01 -0.204204D-01  0.278686D+01
               176           177           178           179           180 
      1  -0.137900D+01  0.578378D+01  0.498267D+01  0.248848D+01 -0.167490D+02
      2  -0.159700D+01  0.682538D+01 -0.111661D+02  0.334882D+01 -0.231698D+02
      3   0.297600D+01 -0.126092D+02  0.618343D+01 -0.583730D+01  0.399188D+02
      4  -0.344985D+01  0.919563D+01 -0.139538D+01  0.734078D+01 -0.769261D+01
      5   0.952617D+01 -0.196647D+02  0.221909D+02 -0.766987D+01  0.522347D+02
      6  -0.319010D+01  0.677912D+01 -0.993572D+00  0.610216D+01 -0.232367D+01
               181           182           183           184           185 
      1   0.115822D+03  0.114764D+02  0.366399D+02  0.160635D+02  0.127195D+02
      2  -0.619592D+02 -0.709451D+01 -0.204766D+02 -0.827491D+01 -0.484397D+01
      3  -0.538632D+02 -0.438189D+01 -0.161633D+02 -0.778862D+01 -0.787548D+01
      4   0.101190D+02  0.138469D+02  0.161850D+01  0.187680D+02  0.746700D+00
      5   0.422175D+02  0.235882D+01  0.266983D+02  0.249068D+01  0.627123D+01
      6   0.129341D+01  0.117837D+01  0.923489D+00  0.298200D+01  0.115492D+01
               186           187           188           189           190 
      1   0.248479D+01  0.449513D+02  0.159571D+01  0.244229D+02  0.456880D+00
      2  -0.111022D+01 -0.265954D+02 -0.143269D+01 -0.176709D+02  0.991896D+00
      3  -0.137457D+01 -0.183558D+02 -0.163014D+00 -0.675202D+01 -0.144878D+01
      4   0.623377D+01  0.487544D+00  0.543821D+01  0.587859D+01 -0.829491D+01
      5   0.668709D+01  0.322802D+02  0.656878D+01  0.230495D+02  0.352626D+01
      6   0.314745D+01  0.810177D+00  0.233114D+01  0.800895D+00 -0.177188D+01
               191           192           193           194           195 
      1  -0.879118D+01  0.375433D+01 -0.668357D+01 -0.795973D+01  0.736371D+01
      2   0.427126D+01 -0.245180D+01  0.162725D+01  0.143284D+02 -0.983464D+01
      3   0.451992D+01 -0.130252D+01  0.505632D+01 -0.636864D+01  0.247093D+01
      4   0.666387D+01 -0.183593D+01  0.987013D+01 -0.226489D+02  0.163137D+02
      5  -0.116061D+01  0.506629D+01 -0.276554D+01  0.165653D+02 -0.186251D+02
      6  -0.295819D+00 -0.279154D+00  0.131776D+01 -0.129480D+02  0.154370D+02
               196           197           198           199           200 
      1   0.728897D+01  0.943139D+01 -0.110542D+02 -0.379615D+02 -0.120582D+02
      2  -0.254322D+01 -0.134145D+02  0.562355D+01  0.207722D+02  0.117155D+02
      3  -0.474574D+01  0.398314D+01  0.543062D+01  0.171893D+02  0.342689D+00
      4  -0.865877D+01  0.286112D+02 -0.257469D+02  0.997195D+01 -0.734736D+01
      5   0.834960D+01 -0.257238D+02  0.411620D+02 -0.776053D+01 -0.129087D+01
      6  -0.338397D+01  0.180482D+02 -0.248372D+02  0.761269D+01  0.343973D+01
               201           202           203           204           205 
      1  -0.154844D+02 -0.972336D+01 -0.754470D+01 -0.263657D+01 -0.186046D+02
      2   0.763069D+01  0.712908D+01  0.747249D+01  0.301205D+01  0.868870D+01
      3   0.785372D+01  0.259427D+01  0.722134D-01 -0.375476D+00  0.991586D+01
      4   0.317934D+01  0.333029D+01 -0.310994D+01 -0.177575D+00  0.628809D+01
      5  -0.691953D+01 -0.312906D-01 -0.151480D+01 -0.427676D+01 -0.241460D+01
      6   0.690362D+01  0.234893D+01  0.208518D+01  0.497889D+01  0.395410D+01
               206           207           208           209           210 
      1  -0.478747D+01 -0.128325D+02  0.524754D+02 -0.235549D+02 -0.195705D+02
      2   0.505500D+01  0.641100D+01 -0.186855D+02  0.215541D+01  0.857118D+01
      3  -0.267521D+00  0.642149D+01 -0.337899D+02  0.213995D+02  0.109993D+02
      4  -0.540924D+01 -0.412242D+01 -0.462833D+02  0.377649D+02  0.173592D+02
      5  -0.718435D+01 -0.546021D+01 -0.262254D+02  0.131496D+02  0.197341D+02
      6   0.661851D+01  0.483900D+01  0.111853D+02 -0.702531D+01 -0.863679D+01
               211           212           213           214           215 
      1  -0.175047D+02  0.136631D+02  0.521381D+01 -0.265213D+02  0.107870D+02
      2   0.490552D+00  0.298360D+01  0.753977D+00  0.104685D+02  0.333816D+00
      3   0.170141D+02 -0.166467D+02 -0.596779D+01  0.160527D+02 -0.111208D+02
      4   0.314813D+02 -0.291329D+02 -0.124202D+02  0.268233D+02 -0.235845D+02
      5   0.106940D+02 -0.110439D+02 -0.109405D+02  0.235292D+02 -0.177983D+02
      6  -0.653787D+01  0.716400D+01  0.807092D+01 -0.101720D+02  0.106324D+02
               216           217           218           219           220 
      1   0.120050D+02 -0.488540D+02 -0.277463D+01 -0.185178D+02 -0.358630D+01
      2  -0.508775D+01  0.189903D+02  0.106609D+01  0.662718D+00  0.215105D+01
      3  -0.691727D+01  0.298637D+02  0.170854D+01  0.178551D+02  0.143524D+01
      4  -0.204407D+02 -0.747150D+01 -0.508562D+01  0.430405D+00  0.167195D+00
      5  -0.192503D+02  0.636946D+01  0.235451D+01 -0.114243D+02  0.633962D+00
      6   0.899346D+01  0.650069D+00  0.333291D+01 -0.140365D+01  0.162844D+01
               221           222           223           224           225 
      1  -0.468168D+01 -0.208639D+01 -0.132079D+02 -0.167313D-01 -0.193682D+02
      2   0.375956D+01 -0.106191D+01  0.814228D+00 -0.113569D+01 -0.165550D+00
      3   0.922125D+00  0.314830D+01  0.123936D+02  0.115243D+01  0.195337D+02
      4   0.455391D+01 -0.230377D+01 -0.139202D+01 -0.294339D+01 -0.255060D+01
      5  -0.164506D+01 -0.515536D+01 -0.391091D+01 -0.869776D+00 -0.103730D+02
      6  -0.652921D+00  0.285260D+01 -0.120412D+01  0.268659D+01 -0.106062D+01
               226           227           228           229           230 
      1   0.921083D+01  0.102181D+02 -0.571264D+01  0.150366D+02  0.246629D+01
      2  -0.316899D+01 -0.195683D+01  0.341458D+01 -0.272957D+01  0.209511D+02
      3  -0.604184D+01 -0.826125D+01  0.229806D+01 -0.123070D+02 -0.234174D+02
      4   0.132315D+02  0.170999D+02 -0.102035D+01  0.252901D+02  0.743372D+02
      5  -0.718592D+01 -0.209978D+01  0.583596D+01 -0.689781D+01 -0.984257D+01
      6  -0.183549D+01 -0.267962D+01  0.888117D+00 -0.529557D+01 -0.183155D+02
               231           232           233           234           235 
      1   0.718328D+00 -0.110083D+01  0.268515D+01 -0.400777D+00  0.646741D+02
      2   0.132759D+01  0.156735D+01  0.690334D+00  0.872708D+00 -0.437167D+02
      3  -0.204592D+01 -0.466518D+00 -0.337549D+01 -0.471931D+00 -0.209574D+02
      4  -0.798971D+01  0.174300D+01  0.506114D+01  0.515735D+01 -0.655033D+01
      5   0.113636D+02  0.438218D+01  0.499114D+01  0.430011D+00 -0.536310D+02
      6   0.740823D+01  0.807253D+00  0.534404D+01 -0.475021D+00  0.217206D+01
               236           237           238           239           240 
      1  -0.891659D+01 -0.340279D+02 -0.218194D+02  0.100460D+02  0.104393D+02
      2   0.651982D+01  0.273801D+02  0.151570D+02 -0.491186D+01 -0.103198D+02
      3   0.239678D+01  0.664776D+01  0.666248D+01 -0.513415D+01 -0.119484D+00
      4   0.136733D+02  0.291258D+01  0.140040D+02 -0.511613D+01 -0.769914D+01
      5   0.646369D+01  0.411185D+02  0.194872D+02 -0.970741D+01 -0.200940D+02
      6  -0.498743D+01 -0.880088D+00 -0.530497D+01  0.301062D+01  0.423440D+01
               241           242           243           244           245 
      1  -0.329808D+02  0.339071D+01  0.215763D+02  0.214369D+01 -0.690218D+01
      2   0.273307D+02 -0.429721D+01 -0.250600D+02 -0.482245D+00  0.335711D+01
      3   0.565013D+01  0.906507D+00  0.348370D+01 -0.166145D+01  0.354508D+01
      4   0.323052D+01 -0.612724D+01 -0.572604D+01 -0.109201D+02  0.865430D+01
      5   0.422604D+02 -0.795441D+01 -0.416785D+02  0.539397D+01 -0.458670D+01
      6  -0.153517D+01  0.394978D+01  0.162689D+01 -0.605113D+01  0.284131D+01
               246           247           248           249           250 
      1   0.817389D+00 -0.959350D+01 -0.477685D+01  0.425197D+01 -0.464212D-01
      2  -0.114738D+01  0.388982D+01  0.708831D+01 -0.945105D+00 -0.179883D+01
      3   0.329987D+00  0.570367D+01 -0.231145D+01 -0.330687D+01  0.184526D+01
      4  -0.413816D+01  0.129399D+02 -0.279279D+02  0.130067D+02 -0.523121D+01
      5   0.750808D+01 -0.652336D+01  0.132424D+02 -0.127959D+02  0.111771D+02
      6  -0.176406D+01  0.512650D+01 -0.155496D+02  0.101287D+02 -0.329636D+01
               251           252           253           254           255 
      1   0.194286D+01 -0.306008D+01 -0.293534D+02 -0.111563D+02 -0.437556D+02
      2   0.111538D+01 -0.344800D+01  0.340664D+02  0.106428D+02  0.133198D+02
      3  -0.305824D+01  0.650807D+01 -0.471301D+01  0.513497D+00  0.304357D+02
      4   0.132022D+02 -0.952208D+01 -0.171883D+02  0.304470D+01 -0.123770D+02
      5  -0.911117D+01  0.149960D+02 -0.537033D+02 -0.806046D+01 -0.140346D+02
      6   0.103668D+02 -0.782675D+01 -0.111425D+02  0.153502D+01  0.344828D+00
               256           257           258           259           260 
      1  -0.207092D+01  0.265894D+01 -0.143578D+02 -0.374691D+02 -0.129212D+02
      2   0.365959D+01 -0.197114D+02  0.958090D+01  0.101169D+02  0.143894D+02
      3  -0.158867D+01  0.170525D+02  0.477694D+01  0.273522D+02 -0.146828D+01
      4   0.119181D+02 -0.620894D+01  0.191216D+02 -0.579949D+01  0.178398D+02
      5   0.204429D+01  0.231508D+02  0.102066D+02 -0.271064D+01  0.411728D+01
      6   0.981321D+01  0.453766D+01  0.177434D+02  0.580927D+01  0.135167D+02
               261           262           263           264           265 
      1   0.102806D+02  0.368741D+02 -0.903300D+01 -0.234754D+02  0.441384D+01
      2   0.449427D+01 -0.241641D+02  0.512311D+01  0.170565D+02 -0.531703D+01
      3  -0.147749D+02 -0.127100D+02  0.390989D+01  0.641891D+01  0.903185D+00
      4   0.943690D+01 -0.168717D+02  0.111227D+02  0.109166D+02  0.533650D+01
      5   0.393457D+01 -0.338341D+02  0.939441D+01  0.294613D+02 -0.490037D+01
      6   0.405112D+01  0.610301D+01 -0.300662D+01 -0.531955D+01 -0.188382D+01
               266           267           268           269           270 
      1   0.180654D+01 -0.429354D+01 -0.290767D+02  0.694092D+01  0.215198D+02
      2  -0.582626D+00  0.505553D+01  0.234628D+02 -0.484109D+01 -0.238057D+02
      3  -0.122391D+01 -0.761986D+00  0.561392D+01 -0.209983D+01  0.228592D+01
      4  -0.551184D+01 -0.416153D+01  0.158891D+02 -0.136536D+02 -0.161104D+02
      5  -0.432244D+01  0.447696D+01  0.419168D+02 -0.139408D+02 -0.487071D+02
      6   0.207846D+01  0.280638D+01 -0.743145D+01  0.573305D+01  0.996627D+01
               271           272           273           274           275 
      1   0.661056D+00  0.712675D+01  0.342328D+01  0.780728D+01 -0.166302D+02
      2   0.138124D+01 -0.662869D+01  0.189676D+00 -0.469742D+01  0.342932D+02
      3  -0.204229D+01 -0.498067D+00 -0.361296D+01 -0.310986D+01 -0.176630D+02
      4   0.364556D+01  0.297173D+00  0.666776D+00  0.603785D+01  0.283263D+02
      5   0.210473D+01  0.255972D+01  0.912964D+00  0.517036D+01 -0.545487D+01
      6   0.151878D+01 -0.201994D+01 -0.130334D+01  0.613799D+00  0.139267D+02
               276           277           278           279           280 
      1  -0.193209D+00 -0.167493D+01  0.503265D+01 -0.215096D+01  0.649425D+02
      2  -0.668755D+01  0.233243D+01 -0.106673D+02  0.438528D+01 -0.461789D+02
      3   0.688076D+01 -0.657509D+00  0.563464D+01 -0.223433D+01 -0.187636D+02
      4  -0.232413D+01 -0.189433D+01 -0.104316D+02  0.875466D+00  0.267919D+02
      5   0.796468D+01 -0.149271D+01  0.228299D+01 -0.763767D+01  0.628604D+02
      6   0.360816D+01 -0.138785D+01 -0.219351D+01 -0.288439D+01  0.120958D+02
               281           282           283           284           285 
      1   0.674947D+01  0.220559D+02  0.124765D+01  0.483683D+01  0.150496D+01
      2  -0.358302D+01 -0.226907D+02  0.933061D+00 -0.599093D+00 -0.274650D+00
      3  -0.316646D+01  0.634740D+00 -0.218071D+01 -0.423774D+01 -0.123031D+01
      4   0.152091D+02  0.133864D+02  0.116087D+02  0.607591D+01  0.439482D+01
      5   0.119940D+02  0.391021D+02  0.306087D+01  0.561262D+01  0.105597D+01
      6   0.889591D+01  0.938501D+01  0.615613D+01  0.295175D+01  0.359301D+01
               286           287           288           289           290 
      1   0.172402D+02  0.205119D+01  0.771752D+01 -0.138957D+02  0.496536D+01
      2  -0.180485D+02 -0.266794D+01 -0.155290D+02 -0.184623D+01 -0.284853D+01
      3   0.808323D+00  0.616753D+00  0.781150D+01  0.157420D+02 -0.211683D+01
      4   0.975049D+01  0.457993D+01  0.630151D+01 -0.308941D+01 -0.273775D+01
      5   0.320084D+02  0.601311D+01  0.265580D+02  0.626902D+00 -0.112533D+01
      6   0.646872D+01  0.421304D+01  0.682733D+01  0.336959D+01 -0.571553D+01
               291           292           293           294           295 
      1   0.261397D+02 -0.137557D+01 -0.559878D+01  0.220370D+01  0.182890D+02
      2   0.240394D+01 -0.652158D-01  0.252092D+01  0.216035D+01 -0.148321D+01
      3  -0.285436D+02  0.144079D+01  0.307787D+01 -0.436405D+01 -0.168058D+02
      4   0.279091D+01 -0.863281D+00 -0.233839D+00  0.439517D+00  0.475603D+01
      5  -0.327921D+01 -0.942169D+00 -0.158941D+01 -0.356807D+01  0.478211D+01
      6  -0.725266D+01 -0.308230D+01  0.558030D+00  0.444368D+01 -0.282564D+01
               296           297 
      1  -0.364506D+01 -0.344842D+02
      2   0.267565D+00 -0.119172D+02
      3   0.337749D+01  0.464014D+02
      4   0.199340D+01 -0.225594D+01
      5   0.217555D+01  0.165653D+02
      6   0.672929D+01  0.115007D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Wed Sep  8 17:13:23 2021, MaxMem=  6442450944 cpu:          125300.5 elap:           15667.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.32377 -19.26645 -10.43573 -10.32302 -10.31268
 Alpha  occ. eigenvalues --  -10.30624 -10.30168 -10.30130 -10.29936 -10.29906
 Alpha  occ. eigenvalues --  -10.29859 -10.29451 -10.29262 -10.28078 -10.28044
 Alpha  occ. eigenvalues --   -1.22108  -1.12949  -0.97488  -0.92757  -0.90069
 Alpha  occ. eigenvalues --   -0.85140  -0.84591  -0.78557  -0.78237  -0.77076
 Alpha  occ. eigenvalues --   -0.71089  -0.70247  -0.66730  -0.65074  -0.60420
 Alpha  occ. eigenvalues --   -0.59548  -0.58126  -0.56380  -0.55268  -0.54483
 Alpha  occ. eigenvalues --   -0.53592  -0.52037  -0.51439  -0.50937  -0.50652
 Alpha  occ. eigenvalues --   -0.49912  -0.47667  -0.46600  -0.46131  -0.45408
 Alpha  occ. eigenvalues --   -0.45122  -0.44399  -0.42943  -0.41929  -0.41448
 Alpha  occ. eigenvalues --   -0.41238  -0.40934  -0.39668  -0.36877  -0.33319
 Alpha  occ. eigenvalues --   -0.31612
 Alpha virt. eigenvalues --    0.03212   0.03754   0.04045   0.04483   0.04825
 Alpha virt. eigenvalues --    0.05072   0.05126   0.05513   0.05819   0.06484
 Alpha virt. eigenvalues --    0.06651   0.07154   0.07460   0.07907   0.08309
 Alpha virt. eigenvalues --    0.08736   0.09311   0.09581   0.09866   0.10366
 Alpha virt. eigenvalues --    0.10916   0.11295   0.11752   0.12190   0.12744
 Alpha virt. eigenvalues --    0.13220   0.13267   0.13811   0.14040   0.14309
 Alpha virt. eigenvalues --    0.14953   0.15193   0.15504   0.15781   0.16139
 Alpha virt. eigenvalues --    0.16310   0.16840   0.17096   0.17213   0.17408
 Alpha virt. eigenvalues --    0.17726   0.18316   0.18497   0.18525   0.19195
 Alpha virt. eigenvalues --    0.19743   0.20173   0.20559   0.20833   0.21055
 Alpha virt. eigenvalues --    0.21358   0.21523   0.22109   0.22198   0.22686
 Alpha virt. eigenvalues --    0.22789   0.23144   0.23761   0.23958   0.24355
 Alpha virt. eigenvalues --    0.24628   0.25090   0.25286   0.25520   0.26280
 Alpha virt. eigenvalues --    0.26982   0.27232   0.27563   0.28024   0.28111
 Alpha virt. eigenvalues --    0.28501   0.29049   0.29333   0.29635   0.29837
 Alpha virt. eigenvalues --    0.30229   0.30494   0.30886   0.31118   0.31399
 Alpha virt. eigenvalues --    0.32126   0.32428   0.32816   0.33282   0.33399
 Alpha virt. eigenvalues --    0.33828   0.34350   0.34644   0.35110   0.35453
 Alpha virt. eigenvalues --    0.35830   0.36139   0.36897   0.37041   0.37460
 Alpha virt. eigenvalues --    0.37585   0.38318   0.38802   0.39424   0.39651
 Alpha virt. eigenvalues --    0.40311   0.40784   0.41109   0.41409   0.42021
 Alpha virt. eigenvalues --    0.42421   0.42610   0.42793   0.43670   0.43907
 Alpha virt. eigenvalues --    0.44312   0.44733   0.44965   0.45217   0.45745
 Alpha virt. eigenvalues --    0.46115   0.46384   0.46852   0.47545   0.47702
 Alpha virt. eigenvalues --    0.47849   0.48243   0.48733   0.49479   0.49659
 Alpha virt. eigenvalues --    0.50243   0.50313   0.50647   0.51479   0.51869
 Alpha virt. eigenvalues --    0.52774   0.53149   0.53919   0.54311   0.54912
 Alpha virt. eigenvalues --    0.55017   0.55671   0.56124   0.56566   0.57139
 Alpha virt. eigenvalues --    0.57323   0.57648   0.58443   0.58584   0.59074
 Alpha virt. eigenvalues --    0.59846   0.60149   0.60744   0.61238   0.61488
 Alpha virt. eigenvalues --    0.62085   0.62266   0.62862   0.63313   0.63994
 Alpha virt. eigenvalues --    0.64185   0.64812   0.65538   0.65746   0.66284
 Alpha virt. eigenvalues --    0.66429   0.66876   0.67314   0.67568   0.67967
 Alpha virt. eigenvalues --    0.68269   0.68626   0.69029   0.69667   0.69830
 Alpha virt. eigenvalues --    0.70349   0.70605   0.71314   0.71642   0.71810
 Alpha virt. eigenvalues --    0.72033   0.72811   0.73153   0.73918   0.74073
 Alpha virt. eigenvalues --    0.74531   0.75202   0.75394   0.75844   0.76224
 Alpha virt. eigenvalues --    0.76521   0.76725   0.77337   0.77891   0.78336
 Alpha virt. eigenvalues --    0.78669   0.79044   0.79582   0.80454   0.80970
 Alpha virt. eigenvalues --    0.81708   0.82254   0.82537   0.82986   0.83411
 Alpha virt. eigenvalues --    0.83976   0.84438   0.85299   0.85990   0.86242
 Alpha virt. eigenvalues --    0.86396   0.87029   0.87554   0.87946   0.88156
 Alpha virt. eigenvalues --    0.89332   0.89559   0.90691   0.91274   0.91429
 Alpha virt. eigenvalues --    0.92284   0.92737   0.93796   0.93949   0.94262
 Alpha virt. eigenvalues --    0.95192   0.96128   0.96274   0.96933   0.98329
 Alpha virt. eigenvalues --    0.98836   0.99224   1.00544   1.00906   1.02243
 Alpha virt. eigenvalues --    1.02678   1.03761   1.04764   1.05063   1.05652
 Alpha virt. eigenvalues --    1.06239   1.07751   1.08303   1.09298   1.10301
 Alpha virt. eigenvalues --    1.10660   1.10936   1.12579   1.14161   1.14443
 Alpha virt. eigenvalues --    1.15332   1.15532   1.16197   1.16805   1.17668
 Alpha virt. eigenvalues --    1.18613   1.19706   1.19796   1.21875   1.22374
 Alpha virt. eigenvalues --    1.24440   1.24728   1.25613   1.26414   1.27195
 Alpha virt. eigenvalues --    1.27588   1.28258   1.28526   1.30198   1.30714
 Alpha virt. eigenvalues --    1.33155   1.34456   1.35591   1.38104   1.39642
 Alpha virt. eigenvalues --    1.39901   1.41974   1.42331   1.43386   1.44818
 Alpha virt. eigenvalues --    1.45589   1.46920   1.47261   1.47780   1.48770
 Alpha virt. eigenvalues --    1.49433   1.50738   1.50842   1.53931   1.54035
 Alpha virt. eigenvalues --    1.55020   1.55420   1.56636   1.57255   1.58141
 Alpha virt. eigenvalues --    1.58684   1.59962   1.60857   1.61603   1.62587
 Alpha virt. eigenvalues --    1.62922   1.63817   1.64406   1.65156   1.66209
 Alpha virt. eigenvalues --    1.67448   1.68736   1.69074   1.69441   1.70243
 Alpha virt. eigenvalues --    1.71967   1.73161   1.74118   1.74963   1.75171
 Alpha virt. eigenvalues --    1.76767   1.77145   1.77768   1.78239   1.78653
 Alpha virt. eigenvalues --    1.80035   1.81062   1.81675   1.82183   1.82681
 Alpha virt. eigenvalues --    1.83435   1.84689   1.85315   1.87689   1.88372
 Alpha virt. eigenvalues --    1.88683   1.89401   1.90340   1.90511   1.91238
 Alpha virt. eigenvalues --    1.93032   1.93660   1.94765   1.95249   1.95991
 Alpha virt. eigenvalues --    1.96974   1.98039   1.98803   1.99086   1.99313
 Alpha virt. eigenvalues --    1.99700   2.00606   2.01789   2.02458   2.02931
 Alpha virt. eigenvalues --    2.04047   2.04269   2.05401   2.06932   2.08109
 Alpha virt. eigenvalues --    2.08840   2.09923   2.10866   2.11260   2.13150
 Alpha virt. eigenvalues --    2.13673   2.14698   2.15655   2.15920   2.16669
 Alpha virt. eigenvalues --    2.18223   2.19524   2.20197   2.20435   2.22090
 Alpha virt. eigenvalues --    2.23405   2.23901   2.24105   2.24630   2.25619
 Alpha virt. eigenvalues --    2.26561   2.27273   2.28754   2.29470   2.29946
 Alpha virt. eigenvalues --    2.30901   2.33008   2.34909   2.35267   2.36965
 Alpha virt. eigenvalues --    2.37472   2.38558   2.39025   2.39689   2.39970
 Alpha virt. eigenvalues --    2.40642   2.41162   2.41432   2.42815   2.43854
 Alpha virt. eigenvalues --    2.45603   2.47093   2.51844   2.52897   2.54049
 Alpha virt. eigenvalues --    2.55024   2.56331   2.57498   2.57968   2.60898
 Alpha virt. eigenvalues --    2.61352   2.61755   2.63007   2.64383   2.66651
 Alpha virt. eigenvalues --    2.69374   2.70853   2.71151   2.72961   2.75802
 Alpha virt. eigenvalues --    2.77242   2.78333   2.79376   2.81689   2.82643
 Alpha virt. eigenvalues --    2.85534   2.87663   2.88481   2.90469   2.91370
 Alpha virt. eigenvalues --    2.94552   2.95368   2.97748   2.99595   3.01870
 Alpha virt. eigenvalues --    3.02849   3.11514   3.16737   3.17728   3.19422
 Alpha virt. eigenvalues --    3.25769   3.31910   3.32942   3.41875   3.43861
 Alpha virt. eigenvalues --    3.45964   3.51619   3.52463   3.55076   3.55733
 Alpha virt. eigenvalues --    3.60249   3.62231   3.71431   3.74389   3.78815
 Alpha virt. eigenvalues --    3.81355   3.91872   3.98639   4.10691   4.89215
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   28.925346  -6.966806  -5.154078  -1.297637   1.229911  -8.697308
     2  C   -6.966806  21.979203  -0.574640  -3.702528  -3.311115  -2.128554
     3  C   -5.154078  -0.574640  31.234747  -5.971303 -10.690741   0.440641
     4  C   -1.297637  -3.702528  -5.971303  25.854824  -3.336422  -3.445773
     5  C    1.229911  -3.311115 -10.690741  -3.336422  24.357301  -1.157028
     6  C   -8.697308  -2.128554   0.440641  -3.445773  -1.157028  22.265920
     7  C   -0.014993  -2.034031  -0.378915  -0.178873  -0.743883   0.199771
     8  C    0.069622   0.133831   0.153951  -0.073620   0.234021  -0.157842
     9  C   -0.018703  -0.014204  -0.115178   0.045445  -0.011689  -0.160001
    10  C   -0.080111  -0.203197   0.014321   0.020543  -0.199770   0.109875
    11  C   -0.026966  -0.077484   0.233282  -5.377120   0.304300  -0.359731
    12  C    0.130858   0.105957  -0.737701   0.798049  -0.103426  -0.234021
    13  O   -0.053686  -0.000382   0.134901  -0.068181  -0.016067   0.008222
    14  O   -0.043997   0.005800   0.084864   0.023115  -0.019968   0.026827
    15  H   -3.849627   2.528030   0.531537  -0.976514  -0.242808   1.016134
    16  H    0.956998  -0.856357  -4.149223   2.006565   0.944958  -0.297742
    17  H   -0.509705   0.218436   0.593694   0.808537  -2.557110   0.597626
    18  H    0.376080   0.573055  -0.375623   0.341601   0.645431  -2.274042
    19  H   -0.584238  -0.261206  -0.184385   0.000055   0.489295   0.488428
    20  H    0.844249  -0.356311   0.432868   0.136090  -0.330064  -0.521956
    21  H   -0.080092   0.020739  -0.004268   0.002497   0.028184   0.068636
    22  H    0.158670  -0.037171   0.073070   0.026116  -0.009226  -0.018776
    23  H    0.020317   0.126069  -0.107123  -0.004672   0.040720  -0.040597
    24  H   -0.110218   0.007028   0.025161  -0.016858  -0.001695   0.025113
    25  H   -0.064004   0.041883   0.034853   0.037309  -0.127213   0.111076
    26  H    0.013778   0.039387   0.014568   0.000917   0.048281   0.059294
    27  H    0.038927  -0.004229  -0.012812  -0.008368  -0.000210  -0.070691
    28  H   -0.038523   0.010793  -0.106398   0.697152  -0.004046  -0.043347
    29  C    0.032043  -0.049951  -0.448205  -0.753394   0.337588  -0.059478
    30  H    0.008833   0.001932  -0.019974   0.025306  -0.006001  -0.005484
    31  H   -0.049871  -0.018394  -0.217122  -0.100459   0.142293   0.001090
    32  H   -0.000138   0.036156   0.089378   0.867848  -0.216352  -0.009913
    33  H   -0.008393  -0.032503   0.072927  -0.642735   0.139965   0.025880
               7          8          9         10         11         12
     1  C   -0.014993   0.069622  -0.018703  -0.080111  -0.026966   0.130858
     2  C   -2.034031   0.133831  -0.014204  -0.203197  -0.077484   0.105957
     3  C   -0.378915   0.153951  -0.115178   0.014321   0.233282  -0.737701
     4  C   -0.178873  -0.073620   0.045445   0.020543  -5.377120   0.798049
     5  C   -0.743883   0.234021  -0.011689  -0.199770   0.304300  -0.103426
     6  C    0.199771  -0.157842  -0.160001   0.109875  -0.359731  -0.234021
     7  C   10.107571  -0.924469   0.174313   0.239073  -0.318483   0.009625
     8  C   -0.924469   8.207299  -0.275835  -0.259784   0.039489  -0.004906
     9  C    0.174313  -0.275835   5.051467  -0.295755  -0.018882   0.004034
    10  C    0.239073  -0.259784  -0.295755   5.077051  -0.015920  -0.000664
    11  C   -0.318483   0.039489  -0.018882  -0.015920  14.647056  -2.364019
    12  C    0.009625  -0.004906   0.004034  -0.000664  -2.364019   7.472029
    13  O   -0.001370  -0.000072   0.000005   0.000045   0.059792   0.092962
    14  O    0.001048   0.000184  -0.000190  -0.000020   0.079264  -0.246002
    15  H   -0.280487   0.016078   0.005170   0.006438   0.031937   0.000116
    16  H    0.134107  -0.015112   0.015268   0.000649  -0.212816   0.158543
    17  H    0.156860  -0.025231   0.000061   0.023194  -0.190079  -0.035000
    18  H   -0.513189   0.051785   0.019372  -0.068693   0.149882   0.001931
    19  H   -0.255403   0.152150   0.018433  -0.000997  -0.010044   0.000938
    20  H   -0.486099   0.144191  -0.026520   0.011049  -0.006192  -0.000184
    21  H    0.070743  -1.120812   0.128727   0.111404   0.002591  -0.000104
    22  H   -0.186689   0.311466  -0.187664  -0.005073  -0.001455  -0.000110
    23  H   -0.160955  -0.065325   0.516652  -0.210258   0.011504  -0.000721
    24  H    0.088798   0.025383   0.114562   0.111316  -0.001403   0.000432
    25  H   -0.136916  -0.080074  -0.211801   0.516645  -0.008102   0.001332
    26  H   -0.159929   0.292608  -0.005891  -0.168887  -0.000094   0.000416
    27  H    0.072869   0.047661   0.101587   0.112276  -0.000275  -0.000286
    28  H   -0.013733   0.001994   0.000000  -0.001529  -1.533900   0.229982
    29  C   -0.040739  -0.000123  -0.002716   0.000735   0.726168  -0.082371
    30  H    0.000211  -0.000101   0.000055   0.000026   0.025641  -0.070729
    31  H   -0.005739  -0.000621  -0.000456   0.000630  -0.266528   0.037656
    32  H    0.001901   0.000006  -0.000184  -0.000084  -0.474014   0.029855
    33  H   -0.010153   0.002917   0.000017  -0.000969   0.614804  -0.108101
              13         14         15         16         17         18
     1  C   -0.053686  -0.043997  -3.849627   0.956998  -0.509705   0.376080
     2  C   -0.000382   0.005800   2.528030  -0.856357   0.218436   0.573055
     3  C    0.134901   0.084864   0.531537  -4.149223   0.593694  -0.375623
     4  C   -0.068181   0.023115  -0.976514   2.006565   0.808537   0.341601
     5  C   -0.016067  -0.019968  -0.242808   0.944958  -2.557110   0.645431
     6  C    0.008222   0.026827   1.016134  -0.297742   0.597626  -2.274042
     7  C   -0.001370   0.001048  -0.280487   0.134107   0.156860  -0.513189
     8  C   -0.000072   0.000184   0.016078  -0.015112  -0.025231   0.051785
     9  C    0.000005  -0.000190   0.005170   0.015268   0.000061   0.019372
    10  C    0.000045  -0.000020   0.006438   0.000649   0.023194  -0.068693
    11  C    0.059792   0.079264   0.031937  -0.212816  -0.190079   0.149882
    12  C    0.092962  -0.246002   0.000116   0.158543  -0.035000   0.001931
    13  O    8.429691  -0.006072  -0.000590  -0.039676   0.003928  -0.000033
    14  O   -0.006072   8.368168  -0.000601  -0.016729   0.012758   0.000012
    15  H   -0.000590  -0.000601   3.730504  -0.396604  -0.022618   0.011720
    16  H   -0.039676  -0.016729  -0.396604   3.843119   0.003970  -0.018928
    17  H    0.003928   0.012758  -0.022618   0.003970   3.358510  -0.373659
    18  H   -0.000033   0.000012   0.011720  -0.018928  -0.373659   3.470121
    19  H   -0.000059  -0.000125   0.015445   0.001560   0.014145  -0.079556
    20  H   -0.000062   0.000113  -0.077439   0.004010  -0.002929   0.024756
    21  H   -0.000014   0.000014   0.012503  -0.001172  -0.002592   0.016685
    22  H    0.000016   0.000012  -0.008637  -0.002526   0.001108  -0.004204
    23  H    0.000016   0.000092  -0.019267  -0.000480  -0.000527   0.013254
    24  H   -0.000005  -0.000022   0.009257   0.001399  -0.000731   0.000738
    25  H   -0.000067   0.000039   0.018008  -0.002246   0.000458  -0.024752
    26  H    0.000011   0.000006  -0.008788   0.002163   0.004665  -0.028997
    27  H    0.000000  -0.000004   0.001087  -0.000950   0.000596   0.010764
    28  H   -0.002696  -0.041812   0.005169  -0.022895  -0.166235   0.007705
    29  C    0.001632   0.005100   0.006352   0.021606   0.014980   0.005081
    30  H   -0.036044   0.305662  -0.000058   0.002151  -0.000774  -0.000132
    31  H    0.012231  -0.008553   0.004591  -0.071564   0.007102  -0.001559
    32  H    0.001904   0.002411  -0.000875   0.012370   0.001145   0.000591
    33  H    0.017357   0.007054  -0.004379   0.015751  -0.006178   0.003156
              19         20         21         22         23         24
     1  C   -0.584238   0.844249  -0.080092   0.158670   0.020317  -0.110218
     2  C   -0.261206  -0.356311   0.020739  -0.037171   0.126069   0.007028
     3  C   -0.184385   0.432868  -0.004268   0.073070  -0.107123   0.025161
     4  C    0.000055   0.136090   0.002497   0.026116  -0.004672  -0.016858
     5  C    0.489295  -0.330064   0.028184  -0.009226   0.040720  -0.001695
     6  C    0.488428  -0.521956   0.068636  -0.018776  -0.040597   0.025113
     7  C   -0.255403  -0.486099   0.070743  -0.186689  -0.160955   0.088798
     8  C    0.152150   0.144191  -1.120812   0.311466  -0.065325   0.025383
     9  C    0.018433  -0.026520   0.128727  -0.187664   0.516652   0.114562
    10  C   -0.000997   0.011049   0.111404  -0.005073  -0.210258   0.111316
    11  C   -0.010044  -0.006192   0.002591  -0.001455   0.011504  -0.001403
    12  C    0.000938  -0.000184  -0.000104  -0.000110  -0.000721   0.000432
    13  O   -0.000059  -0.000062  -0.000014   0.000016   0.000016  -0.000005
    14  O   -0.000125   0.000113   0.000014   0.000012   0.000092  -0.000022
    15  H    0.015445  -0.077439   0.012503  -0.008637  -0.019267   0.009257
    16  H    0.001560   0.004010  -0.001172  -0.002526  -0.000480   0.001399
    17  H    0.014145  -0.002929  -0.002592   0.001108  -0.000527  -0.000731
    18  H   -0.079556   0.024756   0.016685  -0.004204   0.013254   0.000738
    19  H    2.269150  -0.618921  -0.020805   0.023571   0.015429  -0.014651
    20  H   -0.618921   2.292290  -0.018093  -0.013552  -0.021209   0.021969
    21  H   -0.020805  -0.018093   2.348743  -0.082769   0.104405  -0.059722
    22  H    0.023571  -0.013552  -0.082769   1.929818  -0.276296  -0.488334
    23  H    0.015429  -0.021209   0.104405  -0.276296   1.686578  -0.493691
    24  H   -0.014651   0.021969  -0.059722  -0.488334  -0.493691   2.044914
    25  H   -0.019523   0.014158   0.108388  -0.004039  -0.014721  -0.000504
    26  H   -0.008973   0.022914  -0.085335  -0.014032  -0.002452   0.029649
    27  H    0.021573  -0.015042  -0.061869   0.029316  -0.002559  -0.036082
    28  H   -0.001197   0.000046   0.000277  -0.000174  -0.000180   0.000149
    29  C   -0.000009  -0.001230  -0.000136   0.001208  -0.001809  -0.000359
    30  H    0.000096  -0.000072  -0.000006   0.000001  -0.000028   0.000004
    31  H    0.000082  -0.000281  -0.000081   0.000412  -0.001478  -0.000199
    32  H    0.000117   0.000110   0.000012   0.000071   0.000058  -0.000007
    33  H   -0.000385  -0.000206  -0.000038   0.000123   0.000067  -0.000247
              25         26         27         28         29         30
     1  C   -0.064004   0.013778   0.038927  -0.038523   0.032043   0.008833
     2  C    0.041883   0.039387  -0.004229   0.010793  -0.049951   0.001932
     3  C    0.034853   0.014568  -0.012812  -0.106398  -0.448205  -0.019974
     4  C    0.037309   0.000917  -0.008368   0.697152  -0.753394   0.025306
     5  C   -0.127213   0.048281  -0.000210  -0.004046   0.337588  -0.006001
     6  C    0.111076   0.059294  -0.070691  -0.043347  -0.059478  -0.005484
     7  C   -0.136916  -0.159929   0.072869  -0.013733  -0.040739   0.000211
     8  C   -0.080074   0.292608   0.047661   0.001994  -0.000123  -0.000101
     9  C   -0.211801  -0.005891   0.101587   0.000000  -0.002716   0.000055
    10  C    0.516645  -0.168887   0.112276  -0.001529   0.000735   0.000026
    11  C   -0.008102  -0.000094  -0.000275  -1.533900   0.726168   0.025641
    12  C    0.001332   0.000416  -0.000286   0.229982  -0.082371  -0.070729
    13  O   -0.000067   0.000011   0.000000  -0.002696   0.001632  -0.036044
    14  O    0.000039   0.000006  -0.000004  -0.041812   0.005100   0.305662
    15  H    0.018008  -0.008788   0.001087   0.005169   0.006352  -0.000058
    16  H   -0.002246   0.002163  -0.000950  -0.022895   0.021606   0.002151
    17  H    0.000458   0.004665   0.000596  -0.166235   0.014980  -0.000774
    18  H   -0.024752  -0.028997   0.010764   0.007705   0.005081  -0.000132
    19  H   -0.019523  -0.008973   0.021573  -0.001197  -0.000009   0.000096
    20  H    0.014158   0.022914  -0.015042   0.000046  -0.001230  -0.000072
    21  H    0.108388  -0.085335  -0.061869   0.000277  -0.000136  -0.000006
    22  H   -0.004039  -0.014032   0.029316  -0.000174   0.001208   0.000001
    23  H   -0.014721  -0.002452  -0.002559  -0.000180  -0.001809  -0.000028
    24  H   -0.000504   0.029649  -0.036082   0.000149  -0.000359   0.000004
    25  H    1.702421  -0.281934  -0.497022   0.000706  -0.001725   0.000004
    26  H   -0.281934   1.939866  -0.489238  -0.000522   0.000235   0.000005
    27  H   -0.497022  -0.489238   2.038211   0.000015   0.000411  -0.000000
    28  H    0.000706  -0.000522   0.000015   2.500926   0.033488   0.006502
    29  C   -0.001725   0.000235   0.000411   0.033488   4.778852   0.009782
    30  H    0.000004   0.000005  -0.000000   0.006502   0.009782   0.576566
    31  H    0.000239  -0.000143   0.000127   0.081717   0.602083   0.003215
    32  H    0.000440   0.000049  -0.000011   0.006711  -0.270619   0.000614
    33  H   -0.002834   0.000257  -0.000066  -0.028207   0.117130  -0.000910
              31         32         33
     1  C   -0.049871  -0.000138  -0.008393
     2  C   -0.018394   0.036156  -0.032503
     3  C   -0.217122   0.089378   0.072927
     4  C   -0.100459   0.867848  -0.642735
     5  C    0.142293  -0.216352   0.139965
     6  C    0.001090  -0.009913   0.025880
     7  C   -0.005739   0.001901  -0.010153
     8  C   -0.000621   0.000006   0.002917
     9  C   -0.000456  -0.000184   0.000017
    10  C    0.000630  -0.000084  -0.000969
    11  C   -0.266528  -0.474014   0.614804
    12  C    0.037656   0.029855  -0.108101
    13  O    0.012231   0.001904   0.017357
    14  O   -0.008553   0.002411   0.007054
    15  H    0.004591  -0.000875  -0.004379
    16  H   -0.071564   0.012370   0.015751
    17  H    0.007102   0.001145  -0.006178
    18  H   -0.001559   0.000591   0.003156
    19  H    0.000082   0.000117  -0.000385
    20  H   -0.000281   0.000110  -0.000206
    21  H   -0.000081   0.000012  -0.000038
    22  H    0.000412   0.000071   0.000123
    23  H   -0.001478   0.000058   0.000067
    24  H   -0.000199  -0.000007  -0.000247
    25  H    0.000239   0.000440  -0.002834
    26  H   -0.000143   0.000049   0.000257
    27  H    0.000127  -0.000011  -0.000066
    28  H    0.081717   0.006711  -0.028207
    29  C    0.602083  -0.270619   0.117130
    30  H    0.003215   0.000614  -0.000910
    31  H    1.635141  -0.321745  -0.297671
    32  H   -0.321745   1.844291  -0.354580
    33  H   -0.297671  -0.354580   1.676327
 Mulliken charges:
               1
     1  C    0.843463
     2  C    0.800765
     3  C    1.082925
     4  C    0.262489
     5  C    0.142586
     6  C    0.237750
     7  C    1.588157
     8  C   -0.880708
     9  C    1.150502
    10  C    1.156442
    11  C    0.337797
    12  C    0.913631
    13  O   -0.537633
    14  O   -0.538449
    15  H   -1.060784
    16  H   -1.020166
    17  H   -0.928405
    18  H   -0.960353
    19  H   -0.449990
    20  H   -0.452452
    21  H   -0.486639
    22  H   -0.214248
    23  H   -0.110813
    24  H   -0.281144
    25  H   -0.110484
    26  H   -0.213852
    27  H   -0.275704
    28  H   -0.577938
    29  C    1.018387
    30  H    0.173709
    31  H   -0.166146
    32  H   -0.247516
    33  H   -0.195176
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.217321
     2  C    0.800765
     3  C    0.062759
     4  C    0.262489
     5  C   -0.785819
     6  C   -0.722603
     7  C    0.685715
     8  C   -1.367347
     9  C    0.544296
    10  C    0.556401
    11  C   -0.240141
    12  C    0.913631
    13  O   -0.537633
    14  O   -0.364741
    29  C    0.409549
 Electronic spatial extent (au):  <R**2>=           4407.2614
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -1.2054    Y=             -1.2654    Z=              0.4590  Tot=              1.8069
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -88.8410   YY=            -92.7635   ZZ=            -89.0108
   XY=             -5.5992   XZ=              2.6154   YZ=              0.0562
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              1.3640   YY=             -2.5584   ZZ=              1.1943
   XY=             -5.5992   XZ=              2.6154   YZ=              0.0562
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             19.3537  YYY=             -4.9541  ZZZ=            -10.9900  XYY=             -3.6397
  XXY=            -32.9167  XXZ=             -9.1610  XZZ=             23.5612  YZZ=             -2.3842
  YYZ=              1.1266  XYZ=             11.5949
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -4529.2997 YYYY=           -657.4225 ZZZZ=           -582.6838 XXXY=           -156.1128
 XXXZ=            -67.2017 YYYX=              8.0158 YYYZ=            -11.1605 ZZZX=            -37.2671
 ZZZY=              6.8709 XXYY=           -927.3888 XXZZ=           -803.5176 YYZZ=           -203.2640
 XXYZ=             64.9419 YYXZ=              1.4919 ZZXY=            -33.1578
 N-N= 9.813260648495D+02 E-N=-3.489840081273D+03  KE= 6.526069926345D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Wed Sep  8 17:13:25 2021, MaxMem=  6442450944 cpu:               5.4 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-4.50097753D-01-5.00508118D-01 1.46420811D-01
 Polarizability= 2.00170733D+02 5.59379819D+00 1.44712840D+02
                 7.08171403D+00-8.33210072D+00 1.30555475D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -3.8343   -3.8313        3.0917    3.0919
 2      3.8343    3.8313        4.3333    4.3318      -28.9817  -28.9812
 3     -3.0917   -3.0919       36.3901   36.3873       -4.3328   -4.3318
 4     -4.3333   -4.3318        0.0000    0.0000       -3.0929   -3.0919
 5     -7.4085   -7.4060        3.0929    3.0919       -3.8344   -3.8313
 6      4.3328    4.3318        3.8344    3.8313        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       11.4940   11.4940        9.2756    9.2756
 2    -12.9954  -12.9954       -0.0000    0.0000        9.2756    9.2756
 3    -12.9954  -12.9954       11.4940   11.4940        0.0000    0.0000
 4     11.4940   11.4940       12.9954   12.9954      -86.9437  -86.9437
 5     -9.2756   -9.2756      109.1618  109.1618      -12.9954  -12.9954
 6    -22.2181  -22.2181        9.2756    9.2756      -11.4940  -11.4940
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -1.0017    0.0000       17.2991   15.3253      -11.0436  -12.3675
 2    -15.3717  -15.3253      -17.8199  -17.3271      115.9957  115.9249
 3     12.4811   12.3675     -146.6617 -145.5490       18.5798   17.3271
 4     17.1968   17.3271        0.2670    0.0000       12.2914   12.3675
 5     29.5930   29.6241      -12.3894  -12.3675       14.8779   15.3253
 6    -17.3148  -17.3271      -15.0822  -15.3253        0.0559    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1882    0.0000      -35.5175  -35.2914        6.5046    6.1290
 2     35.3667   35.2914       -0.8130   -0.1312       -4.7461   -5.6607
 3     -5.5212   -6.1290      -50.8011  -48.8703        1.1093    0.1312
 4      0.2815    0.1312       -0.3757    0.0000       -5.8155   -6.1290
 5     53.7028   54.5310        6.6562    6.1290      -35.9700  -35.2914
 6     -0.4470   -0.1312       35.6644   35.2914       -0.6422    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -24.3251  -24.5721       -3.6470   -3.3647       -7.8655   -7.8893
 2    -12.1580  -12.7133      -19.4779  -19.4420       -7.3509   -7.8893
 3    -12.1652  -12.7133       -3.4551   -3.3647      -40.6372  -41.3332
 4     16.6128   16.0774      -13.3929  -11.8589      -35.3507  -36.5045
 5    -33.8114  -33.4439      -54.0521  -53.0243       12.3544   11.8589
 6     88.1131   89.5288       34.5711   33.4439      -17.3326  -16.0774
 Full mass-weighted force constant matrix:
 Low frequencies ---   -1.4258   -0.0005   -0.0002    0.0009    3.0505    6.3961
 Low frequencies ---   24.3732   38.9708   49.6399
 Diagonal vibrational polarizability:
       39.0913618      10.5427820      24.2879651
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     24.3636                38.9700                49.6342
 Red. masses --      4.0405                 7.6098                 3.6306
 Frc consts  --      0.0014                 0.0068                 0.0053
 IR Inten    --      0.1630                 1.5795                 0.2838
 RamAct Fr= 1--      0.4097                 1.1035                 2.1086
  Dep-P Fr= 1--      0.7439                 0.7499                 0.7272
  Dep-U Fr= 1--      0.8532                 0.8571                 0.8421
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0008
 Beta2  Fr= 1--      0.0583                 0.1576                 0.2959
 AlphaG Fr= 1--     -0.0003                 0.0003                 0.0011
 Gamma2 Fr= 1--     -0.0964                -0.8428                 0.7409
 Delta2 Fr= 1--     -0.1199                -0.2880                -0.2341
 Raman1 Fr= 1--       1.639                  4.414                  8.434
 ROA1   Fr= 1--     -13.091                -90.123                 63.632
 CID1   Fr= 1--      -7.988                -20.417                  7.544
 Raman2 Fr= 1--       0.699                  1.892                  3.551
 ROA2   Fr= 1--      -1.354                -17.922                 19.653
 CID2   Fr= 1--      -1.936                 -9.475                  5.534
 Raman3 Fr= 1--       1.398                  3.783                  7.102
 ROA3   Fr= 1--     -13.091                -90.123                 63.632
 CID3   Fr= 1--      -9.363                -23.822                  8.959
 RC180  Fr= 1--       0.706                  0.714                  0.684
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.10  -0.03    -0.02  -0.02  -0.06     0.03  -0.09  -0.17
     2   6    -0.01  -0.08   0.02    -0.03  -0.00  -0.05    -0.01  -0.02  -0.05
     3   6     0.01  -0.10  -0.05    -0.01  -0.04  -0.08     0.03  -0.09  -0.18
     4   6     0.00  -0.08  -0.02    -0.02  -0.05  -0.08    -0.01  -0.01  -0.06
     5   6    -0.01  -0.06   0.03    -0.03  -0.04  -0.09    -0.05   0.05   0.05
     6   6    -0.02  -0.05   0.05    -0.04  -0.02  -0.08    -0.05   0.04   0.06
     7   6    -0.02  -0.07   0.05    -0.05   0.05   0.00    -0.03   0.02  -0.00
     8   6     0.01   0.05   0.01     0.01   0.06   0.07     0.02   0.03   0.05
     9   6     0.04   0.06  -0.16     0.08   0.05   0.11     0.17  -0.00   0.18
    10   6     0.04   0.19   0.08     0.03   0.02   0.05    -0.06  -0.08  -0.02
    11   6     0.00  -0.07  -0.02    -0.04  -0.05  -0.03    -0.03   0.03  -0.01
    12   6    -0.00   0.08  -0.01     0.01   0.01   0.02     0.02   0.02   0.03
    13   8    -0.03   0.14   0.10    -0.28   0.04  -0.16     0.12   0.02   0.11
    14   8     0.03   0.14  -0.13     0.43   0.01   0.29    -0.04   0.03  -0.02
    15   1     0.01  -0.12  -0.06    -0.01  -0.00  -0.05     0.06  -0.14  -0.25
    16   1     0.02  -0.12  -0.08     0.00  -0.05  -0.08     0.06  -0.13  -0.26
    17   1    -0.01  -0.04   0.06    -0.04  -0.05  -0.09    -0.08   0.10   0.14
    18   1    -0.03  -0.03   0.10    -0.05  -0.01  -0.07    -0.08   0.09   0.15
    19   1    -0.06  -0.08   0.15    -0.10   0.06  -0.01    -0.07   0.03  -0.01
    20   1    -0.02  -0.16   0.01    -0.08   0.08   0.02    -0.05   0.04   0.01
    21   1    -0.00   0.01   0.05    -0.02   0.12   0.10     0.01   0.17   0.02
    22   1     0.02  -0.04  -0.21     0.06   0.08   0.13     0.23   0.08   0.23
    23   1     0.05   0.10  -0.20     0.11  -0.01   0.08     0.19  -0.15   0.21
    24   1     0.06   0.14  -0.19     0.12   0.06   0.15     0.21   0.02   0.22
    25   1     0.06   0.24   0.04     0.06  -0.03   0.02    -0.06  -0.22   0.01
    26   1     0.02   0.19   0.21    -0.01   0.03   0.02    -0.17  -0.06  -0.11
    27   1     0.07   0.27   0.06     0.07   0.04   0.09    -0.03  -0.06   0.01
    28   1     0.05  -0.11  -0.11    -0.04  -0.05  -0.03    -0.03   0.04   0.01
    29   6    -0.05  -0.15   0.08    -0.10  -0.05  -0.01    -0.11   0.05  -0.03
    30   1     0.03   0.24  -0.12     0.43   0.03   0.30     0.01   0.03   0.02
    31   1    -0.11  -0.12   0.17    -0.08  -0.05  -0.01    -0.12   0.03  -0.05
    32   1    -0.05  -0.13   0.08    -0.12  -0.05   0.06    -0.13   0.09   0.01
    33   1    -0.04  -0.26   0.08    -0.15  -0.07  -0.05    -0.14   0.04  -0.05
                      4                      5                      6
                      A                      A                      A
 Frequencies --     56.3903                86.2246               102.5193
 Red. masses --      3.8167                 3.6635                 3.9609
 Frc consts  --      0.0072                 0.0160                 0.0245
 IR Inten    --      0.4883                 0.0549                 0.1244
 RamAct Fr= 1--      0.9854                 2.0539                 2.9571
  Dep-P Fr= 1--      0.7393                 0.6710                 0.6764
  Dep-U Fr= 1--      0.8501                 0.8031                 0.8069
 Alpha2 Fr= 1--      0.0002                 0.0029                 0.0038
 Beta2  Fr= 1--      0.1396                 0.2749                 0.3977
 AlphaG Fr= 1--      0.0006                -0.0019                 0.0040
 Gamma2 Fr= 1--     -0.1262                -0.8999                 0.7231
 Delta2 Fr= 1--      0.2109                -0.1467                 0.3898
 Raman1 Fr= 1--       3.942                  8.216                 11.828
 ROA1   Fr= 1--      -5.369                -91.083                 81.897
 CID1   Fr= 1--      -1.362                -11.087                  6.924
 Raman2 Fr= 1--       1.675                  3.299                  4.772
 ROA2   Fr= 1--      -4.716                -20.424                 14.237
 CID2   Fr= 1--      -2.815                 -6.191                  2.983
 Raman3 Fr= 1--       3.351                  6.598                  9.545
 ROA3   Fr= 1--      -5.369                -91.083                 81.897
 CID3   Fr= 1--      -1.602                -13.804                  8.580
 RC180  Fr= 1--       0.700                  0.606                  0.614
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.01  -0.02    -0.02  -0.03   0.06     0.08  -0.01  -0.12
     2   6    -0.02  -0.03  -0.08     0.03  -0.09  -0.02     0.04   0.03  -0.09
     3   6    -0.05   0.03  -0.01    -0.05   0.01   0.11     0.05  -0.01  -0.04
     4   6    -0.03  -0.00  -0.06    -0.02  -0.01   0.07    -0.03   0.03   0.07
     5   6     0.01  -0.06  -0.15     0.04  -0.08  -0.03    -0.07   0.08   0.11
     6   6     0.02  -0.07  -0.17     0.05  -0.11  -0.07    -0.04   0.07   0.03
     7   6    -0.04  -0.01  -0.00     0.03  -0.06  -0.01     0.05   0.05  -0.09
     8   6     0.04  -0.01   0.09     0.09   0.06  -0.03     0.08  -0.04   0.01
     9   6    -0.02   0.01  -0.01     0.28   0.03   0.02     0.01  -0.03   0.01
    10   6     0.23   0.06   0.14    -0.03   0.04  -0.05     0.26  -0.05   0.01
    11   6    -0.06   0.04   0.01    -0.02   0.04   0.05    -0.03  -0.02   0.07
    12   6     0.01  -0.01   0.06    -0.09   0.02  -0.01    -0.11  -0.01   0.01
    13   8     0.13  -0.04   0.11    -0.14   0.02  -0.06    -0.19  -0.00  -0.05
    14   8    -0.07  -0.03   0.06    -0.13   0.01  -0.01    -0.12  -0.01  -0.01
    15   1    -0.07   0.04   0.03    -0.04  -0.01   0.10     0.14  -0.05  -0.19
    16   1    -0.08   0.07   0.05    -0.08   0.06   0.18     0.10  -0.06  -0.07
    17   1     0.04  -0.08  -0.20     0.07  -0.10  -0.08    -0.13   0.11   0.19
    18   1     0.05  -0.10  -0.22     0.09  -0.16  -0.14    -0.08   0.11   0.05
    19   1    -0.06  -0.00   0.01    -0.04  -0.05   0.06     0.05   0.06  -0.17
    20   1    -0.11   0.01   0.01     0.04  -0.11  -0.04     0.02   0.14  -0.05
    21   1    -0.01  -0.08   0.21     0.08   0.20  -0.05     0.05  -0.10   0.10
    22   1    -0.16  -0.04  -0.04     0.43   0.06   0.03    -0.16  -0.02   0.01
    23   1     0.03   0.08  -0.13     0.27  -0.11   0.10     0.06   0.02  -0.12
    24   1     0.03   0.00   0.06     0.29   0.13  -0.03     0.06  -0.09   0.12
    25   1     0.29   0.15   0.02    -0.00  -0.13  -0.05     0.28   0.07  -0.04
    26   1     0.29   0.05   0.22    -0.21   0.07  -0.08     0.39  -0.08   0.02
    27   1     0.28   0.05   0.20     0.04   0.15  -0.03     0.25  -0.16   0.06
    28   1    -0.08   0.07   0.07     0.02   0.07   0.08    -0.03  -0.04   0.03
    29   6    -0.13   0.09  -0.03    -0.01   0.09  -0.00     0.04  -0.05   0.09
    30   1    -0.01  -0.07   0.09    -0.19  -0.00  -0.06    -0.20  -0.00  -0.07
    31   1    -0.10   0.07  -0.09    -0.05   0.06  -0.03     0.03  -0.03   0.13
    32   1    -0.15   0.11   0.02     0.00   0.13  -0.04     0.05  -0.08   0.05
    33   1    -0.18   0.12  -0.07     0.02   0.11   0.03     0.07  -0.06   0.12
                      7                      8                      9
                      A                      A                      A
 Frequencies --    173.0545               210.6918               224.3845
 Red. masses --      3.2369                 2.9850                 1.1698
 Frc consts  --      0.0571                 0.0781                 0.0347
 IR Inten    --      0.1072                 0.3234                 0.2397
 RamAct Fr= 1--      0.5017                 0.2665                 0.2880
  Dep-P Fr= 1--      0.6746                 0.6346                 0.2756
  Dep-U Fr= 1--      0.8057                 0.7765                 0.4321
 Alpha2 Fr= 1--      0.0007                 0.0006                 0.0032
 Beta2  Fr= 1--      0.0674                 0.0345                 0.0207
 AlphaG Fr= 1--     -0.0029                -0.0011                 0.0001
 Gamma2 Fr= 1--      0.6892                -0.0252                 0.2777
 Delta2 Fr= 1--      0.3177                 0.0959                 0.1660
 Raman1 Fr= 1--       2.007                  1.066                  1.152
 ROA1   Fr= 1--      76.324                  0.654                 31.968
 CID1   Fr= 1--      38.035                  0.613                 27.750
 Raman2 Fr= 1--       0.808                  0.414                  0.249
 ROA2   Fr= 1--      13.998                 -1.372                  5.336
 CID2   Fr= 1--      17.317                 -3.314                 21.438
 Raman3 Fr= 1--       1.617                  0.828                  0.498
 ROA3   Fr= 1--      76.324                  0.654                 31.968
 CID3   Fr= 1--      47.209                  0.790                 64.217
 RC180  Fr= 1--       0.611                  0.553                 -0.136
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11   0.04  -0.05     0.07  -0.00  -0.09    -0.02   0.01   0.04
     2   6    -0.05  -0.01  -0.05     0.06   0.02  -0.01    -0.01   0.00   0.02
     3   6    -0.11   0.13  -0.02     0.09   0.01  -0.11    -0.01   0.00   0.03
     4   6    -0.06   0.15  -0.02     0.07   0.04  -0.06    -0.01  -0.01   0.00
     5   6    -0.03   0.13  -0.01     0.11   0.01  -0.10    -0.02   0.00   0.03
     6   6    -0.01   0.04  -0.02     0.10   0.00  -0.07    -0.02   0.01   0.04
     7   6    -0.06  -0.12  -0.00     0.03  -0.02   0.08     0.01  -0.00  -0.01
     8   6     0.00  -0.05   0.01    -0.02  -0.01   0.04     0.01  -0.00  -0.01
     9   6     0.13  -0.06  -0.04    -0.07  -0.00   0.01     0.03  -0.01  -0.01
    10   6     0.00  -0.01   0.04    -0.12   0.03   0.06     0.03  -0.01  -0.02
    11   6    -0.04   0.02  -0.04     0.02   0.03   0.05    -0.01  -0.02  -0.01
    12   6     0.01  -0.00  -0.01    -0.02   0.01   0.03     0.00  -0.01  -0.01
    13   8     0.07  -0.02   0.01    -0.06  -0.01  -0.06    -0.00   0.00   0.01
    14   8     0.03  -0.02   0.04    -0.11  -0.02   0.05     0.02   0.01  -0.03
    15   1    -0.14   0.01  -0.06     0.06  -0.02  -0.10    -0.02   0.02   0.05
    16   1    -0.16   0.16  -0.03     0.09  -0.00  -0.14    -0.01   0.01   0.03
    17   1     0.00   0.15   0.00     0.13   0.01  -0.12    -0.02   0.00   0.03
    18   1     0.03   0.02  -0.00     0.11  -0.01  -0.07    -0.03   0.02   0.04
    19   1    -0.03  -0.15   0.12     0.06  -0.03   0.14     0.01   0.00  -0.02
    20   1    -0.13  -0.22  -0.04    -0.03  -0.07   0.06     0.03   0.01  -0.01
    21   1    -0.03   0.00   0.05     0.02  -0.04  -0.01     0.01   0.00  -0.00
    22   1     0.21  -0.10  -0.05     0.04  -0.04  -0.00     0.02  -0.00  -0.01
    23   1     0.13  -0.13  -0.01    -0.14   0.04   0.12     0.04  -0.02  -0.03
    24   1     0.15   0.03  -0.08    -0.16   0.00  -0.11     0.04   0.00   0.00
    25   1     0.06  -0.11  -0.03    -0.14  -0.01   0.11     0.03   0.01  -0.02
    26   1    -0.14   0.01   0.08    -0.19   0.04   0.09     0.06  -0.02  -0.02
    27   1     0.10   0.12   0.08    -0.13   0.10   0.01     0.03  -0.04  -0.01
    28   1    -0.13  -0.05  -0.13    -0.02   0.00   0.01    -0.01  -0.01   0.00
    29   6     0.15  -0.13   0.10    -0.04  -0.04   0.14    -0.03   0.01  -0.04
    30   1     0.09  -0.05   0.08    -0.21  -0.08  -0.04     0.02   0.04  -0.03
    31   1     0.30  -0.03   0.23     0.29   0.02   0.13     0.50   0.02  -0.21
    32   1     0.16  -0.35   0.09    -0.15  -0.26   0.44    -0.19  -0.30   0.39
    33   1     0.15  -0.12   0.10    -0.29   0.05  -0.07    -0.42   0.31  -0.33
                     10                     11                     12
                      A                      A                      A
 Frequencies --    239.9932               247.0869               267.3892
 Red. masses --      2.3220                 1.2055                 1.0597
 Frc consts  --      0.0788                 0.0434                 0.0446
 IR Inten    --      0.4739                 0.3846                 0.2657
 RamAct Fr= 1--      1.8631                 0.9626                 1.6034
  Dep-P Fr= 1--      0.3335                 0.2722                 0.2663
  Dep-U Fr= 1--      0.5002                 0.4279                 0.4206
 Alpha2 Fr= 1--      0.0172                 0.0107                 0.0181
 Beta2  Fr= 1--      0.1553                 0.0686                 0.1124
 AlphaG Fr= 1--      0.0209                -0.0383                -0.0085
 Gamma2 Fr= 1--     -1.1851                -0.1201                -0.0335
 Delta2 Fr= 1--     -0.3424                 0.1258                 0.0415
 Raman1 Fr= 1--       7.453                  3.850                  6.413
 ROA1   Fr= 1--    -124.726                 -7.505                 -1.888
 CID1   Fr= 1--     -16.736                 -1.949                 -0.294
 Raman2 Fr= 1--       1.864                  0.824                  1.349
 ROA2   Fr= 1--     -25.703                 -3.889                 -1.137
 CID2   Fr= 1--     -13.791                 -4.721                 -0.843
 Raman3 Fr= 1--       3.727                  1.648                  2.698
 ROA3   Fr= 1--    -124.726                 -7.505                 -1.888
 CID3   Fr= 1--     -33.461                 -4.555                 -0.700
 RC180  Fr= 1--       0.000                 -0.144                 -0.159
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.09  -0.07    -0.02   0.01   0.02    -0.00  -0.00  -0.01
     2   6    -0.02  -0.07  -0.06     0.00  -0.00   0.02     0.00  -0.01  -0.02
     3   6    -0.01  -0.05  -0.01    -0.01   0.02   0.00    -0.01   0.00  -0.00
     4   6    -0.01   0.00   0.05     0.01   0.01  -0.02    -0.01   0.00   0.00
     5   6    -0.01  -0.04  -0.02     0.02   0.01  -0.01    -0.01   0.00  -0.00
     6   6     0.01  -0.07  -0.07     0.01   0.00   0.02    -0.01  -0.00  -0.01
     7   6    -0.05   0.02  -0.01     0.01  -0.01   0.01     0.00  -0.01  -0.00
     8   6    -0.03   0.04   0.01     0.01   0.00  -0.01     0.01  -0.00   0.00
     9   6    -0.05   0.04   0.04     0.05  -0.00  -0.01     0.01  -0.01   0.02
    10   6    -0.06   0.03   0.00    -0.03   0.00  -0.01     0.01   0.02   0.01
    11   6     0.01   0.02   0.05    -0.00   0.01  -0.02    -0.01  -0.01  -0.00
    12   6    -0.01   0.01   0.03     0.01   0.01  -0.01    -0.01  -0.01   0.00
    13   8    -0.02   0.03   0.07     0.02  -0.01  -0.04    -0.01   0.00   0.02
    14   8     0.01   0.03   0.01    -0.01  -0.01   0.01     0.01   0.00  -0.00
    15   1     0.02  -0.11  -0.10    -0.03   0.00   0.02    -0.01  -0.00  -0.01
    16   1    -0.03  -0.04  -0.02    -0.02   0.03   0.00    -0.01   0.00   0.00
    17   1    -0.01  -0.04  -0.02     0.04   0.01  -0.02    -0.01   0.00   0.00
    18   1     0.03  -0.09  -0.08     0.02   0.00   0.03    -0.01  -0.00  -0.01
    19   1    -0.11   0.04  -0.04     0.01  -0.01   0.02    -0.00  -0.01   0.00
    20   1    -0.04   0.05   0.00     0.02  -0.03   0.00    -0.01  -0.01  -0.00
    21   1    -0.03   0.05   0.00     0.01   0.02  -0.02     0.02  -0.01  -0.01
    22   1    -0.36   0.10   0.07    -0.29   0.04   0.01     0.42  -0.03   0.01
    23   1     0.08   0.06  -0.21     0.23  -0.03  -0.32    -0.17  -0.04   0.39
    24   1     0.10  -0.04   0.30     0.26  -0.03   0.30    -0.20   0.05  -0.31
    25   1    -0.12   0.14   0.09    -0.19   0.33   0.19    -0.13   0.37   0.17
    26   1     0.09   0.00  -0.02     0.37  -0.06  -0.03     0.41  -0.05   0.03
    27   1    -0.17  -0.08  -0.07    -0.30  -0.27  -0.19    -0.25  -0.24  -0.15
    28   1    -0.00   0.02   0.06    -0.00   0.00  -0.04    -0.02  -0.01   0.00
    29   6     0.22   0.06  -0.03    -0.06  -0.03   0.04     0.02   0.00  -0.02
    30   1     0.02   0.06   0.02    -0.02  -0.04   0.01     0.02   0.02   0.01
    31   1     0.45   0.06  -0.11    -0.11  -0.01   0.09     0.03  -0.00  -0.03
    32   1     0.23  -0.15  -0.04    -0.07   0.00   0.05     0.03  -0.01  -0.04
    33   1     0.20   0.29  -0.01    -0.06  -0.11   0.02     0.04   0.03  -0.00
                     13                     14                     15
                      A                      A                      A
 Frequencies --    280.3685               339.0597               356.4922
 Red. masses --      3.4970                 3.9325                 3.0102
 Frc consts  --      0.1620                 0.2664                 0.2254
 IR Inten    --      0.9761                 1.2175                 0.5534
 RamAct Fr= 1--      0.4316                 1.9269                 2.4164
  Dep-P Fr= 1--      0.0273                 0.4819                 0.6716
  Dep-U Fr= 1--      0.0531                 0.6504                 0.8035
 Alpha2 Fr= 1--      0.0090                 0.0103                 0.0034
 Beta2  Fr= 1--      0.0038                 0.2089                 0.3236
 AlphaG Fr= 1--     -0.0024                 0.0085                -0.0004
 Gamma2 Fr= 1--     -0.3050                 0.1467                 0.5830
 Delta2 Fr= 1--     -0.1313                -0.6304                 0.3002
 Raman1 Fr= 1--       1.726                  7.708                  9.666
 ROA1   Fr= 1--     -33.485                 -6.090                 65.578
 CID1   Fr= 1--     -19.396                 -0.790                  6.785
 Raman2 Fr= 1--       0.046                  2.507                  3.883
 ROA2   Fr= 1--      -6.270                  8.565                 11.591
 CID2   Fr= 1--    -136.809                  3.417                  2.985
 Raman3 Fr= 1--       0.092                  5.013                  7.767
 ROA3   Fr= 1--     -33.485                 -6.090                 65.578
 CID3   Fr= 1--    -365.302                 -1.215                  8.443
 RC180  Fr= 1--      -0.894                  0.301                  0.607
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07   0.12  -0.02    -0.08   0.00   0.04     0.01  -0.02  -0.05
     2   6     0.03   0.13  -0.04    -0.01  -0.02   0.15     0.08  -0.09  -0.10
     3   6     0.07   0.04   0.01    -0.02   0.05  -0.14    -0.04   0.10   0.06
     4   6     0.01  -0.02  -0.01     0.03   0.07  -0.14    -0.02   0.09   0.04
     5   6    -0.03   0.02  -0.04     0.12   0.05  -0.08     0.01   0.08   0.08
     6   6    -0.02   0.10  -0.06     0.07  -0.01   0.10     0.07  -0.03  -0.02
     7   6     0.02  -0.04   0.04     0.03  -0.04   0.09     0.07  -0.08  -0.04
     8   6    -0.00  -0.10   0.05     0.02   0.08  -0.04     0.07   0.00  -0.06
     9   6     0.10  -0.11  -0.07    -0.02   0.10  -0.00    -0.09   0.00   0.15
    10   6    -0.11   0.00   0.11     0.09  -0.07  -0.12    -0.03   0.13  -0.01
    11   6    -0.01  -0.09   0.04    -0.04  -0.04  -0.00    -0.02  -0.04  -0.01
    12   6    -0.03  -0.08   0.05    -0.04  -0.08   0.07    -0.00  -0.07  -0.01
    13   8    -0.12  -0.01   0.14    -0.15  -0.01   0.16    -0.03  -0.04   0.04
    14   8     0.04  -0.01  -0.07    -0.01  -0.04  -0.01     0.07  -0.03  -0.09
    15   1     0.12   0.16  -0.01    -0.19  -0.05   0.05    -0.03  -0.05  -0.06
    16   1     0.13   0.01   0.04    -0.06   0.06  -0.23    -0.07   0.14   0.11
    17   1    -0.08  -0.02  -0.05     0.23   0.09  -0.10     0.03   0.14   0.14
    18   1    -0.07   0.13  -0.10     0.13  -0.03   0.16     0.09  -0.04  -0.01
    19   1     0.16  -0.08   0.09    -0.01  -0.06   0.26     0.02  -0.09   0.08
    20   1    -0.12  -0.09   0.02     0.12  -0.22  -0.00     0.04  -0.18  -0.09
    21   1     0.00  -0.10   0.04     0.03   0.09  -0.05     0.09  -0.02  -0.10
    22   1    -0.04  -0.19  -0.12    -0.07   0.12   0.01    -0.22   0.23   0.27
    23   1     0.21  -0.14  -0.27    -0.03   0.14  -0.01    -0.11   0.04   0.17
    24   1     0.24   0.00   0.04    -0.04   0.04   0.02    -0.14  -0.27   0.28
    25   1    -0.16   0.04   0.20     0.13  -0.12  -0.17    -0.04   0.13   0.01
    26   1    -0.12  -0.00   0.20     0.15  -0.06  -0.30    -0.12   0.13   0.15
    27   1    -0.16   0.08  -0.01     0.11  -0.23   0.00    -0.01   0.30  -0.09
    28   1    -0.06  -0.06   0.11    -0.19  -0.06   0.04    -0.08  -0.04   0.01
    29   6     0.00   0.04  -0.12     0.03  -0.01  -0.07    -0.09  -0.02  -0.03
    30   1     0.01   0.11  -0.06    -0.04   0.03  -0.02     0.09   0.08  -0.05
    31   1    -0.07  -0.05  -0.26    -0.03  -0.04  -0.10    -0.15  -0.05  -0.05
    32   1     0.04   0.16  -0.21     0.08   0.02  -0.18    -0.12   0.08   0.03
    33   1     0.07   0.14  -0.05     0.12   0.02   0.02    -0.13  -0.06  -0.07
                     16                     17                     18
                      A                      A                      A
 Frequencies --    390.1550               406.2980               422.1183
 Red. masses --      2.5679                 1.9758                 3.4831
 Frc consts  --      0.2303                 0.1922                 0.3657
 IR Inten    --      1.6590                 0.1776                 2.8790
 RamAct Fr= 1--      1.1842                 1.0875                 3.3531
  Dep-P Fr= 1--      0.5575                 0.1111                 0.1408
  Dep-U Fr= 1--      0.7159                 0.2001                 0.2469
 Alpha2 Fr= 1--      0.0043                 0.0185                 0.0530
 Beta2  Fr= 1--      0.1413                 0.0363                 0.1380
 AlphaG Fr= 1--      0.0023                 0.0232                -0.0652
 Gamma2 Fr= 1--      0.2567                 0.4410                -1.2645
 Delta2 Fr= 1--      0.1014                 0.1370                -0.0240
 Raman1 Fr= 1--       4.737                  4.350                 13.412
 ROA1   Fr= 1--      27.893                 46.719               -122.162
 CID1   Fr= 1--       5.888                 10.740                 -9.108
 Raman2 Fr= 1--       1.696                  0.435                  1.656
 ROA2   Fr= 1--       5.351                  9.488                -30.157
 CID2   Fr= 1--       3.156                 21.805                -18.213
 Raman3 Fr= 1--       3.391                  0.870                  3.312
 ROA3   Fr= 1--      27.893                 46.719               -122.162
 CID3   Fr= 1--       8.225                 53.683                -36.890
 RC180  Fr= 1--       0.432                 -0.600                 -0.506
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.03   0.06    -0.01  -0.07  -0.02    -0.01   0.10   0.09
     2   6    -0.03   0.04   0.07     0.03  -0.07   0.04     0.09   0.02  -0.00
     3   6     0.02  -0.04  -0.06    -0.04   0.07   0.01     0.04  -0.05  -0.09
     4   6     0.03  -0.05  -0.08    -0.03   0.05  -0.04    -0.08  -0.05  -0.02
     5   6     0.02  -0.04  -0.06     0.05   0.00  -0.03    -0.08   0.00   0.13
     6   6    -0.03   0.03   0.06     0.02  -0.05   0.08     0.03  -0.08  -0.09
     7   6     0.02  -0.01  -0.08     0.07   0.14  -0.05     0.13  -0.02   0.04
     8   6    -0.05  -0.08  -0.13     0.05  -0.04   0.04     0.14   0.00   0.03
     9   6     0.01  -0.13   0.10     0.02  -0.03  -0.04    -0.02   0.04   0.00
    10   6     0.03   0.15  -0.02    -0.05   0.00   0.07    -0.03  -0.02   0.02
    11   6     0.00   0.00  -0.01    -0.05   0.00  -0.04    -0.11  -0.01  -0.11
    12   6    -0.01   0.04   0.02    -0.03  -0.01  -0.01    -0.09   0.08  -0.05
    13   8    -0.01   0.03   0.01    -0.02   0.00   0.04     0.04   0.06   0.02
    14   8    -0.06   0.01   0.07    -0.01  -0.01   0.01    -0.08   0.03   0.13
    15   1    -0.04   0.05   0.10    -0.07  -0.14  -0.07    -0.08   0.16   0.20
    16   1     0.03  -0.06  -0.09    -0.09   0.11   0.03     0.15  -0.14  -0.14
    17   1     0.02  -0.05  -0.08     0.14   0.03  -0.06    -0.10   0.08   0.25
    18   1    -0.04   0.04   0.08     0.03  -0.04   0.14    -0.00  -0.10  -0.25
    19   1     0.09  -0.02  -0.16    -0.00   0.22  -0.51     0.14  -0.04   0.15
    20   1     0.11   0.03  -0.06     0.19   0.55   0.14     0.07  -0.11   0.01
    21   1    -0.05  -0.07  -0.12     0.06  -0.07   0.02     0.17  -0.03  -0.03
    22   1     0.03   0.13   0.24     0.02  -0.13  -0.09    -0.14   0.01  -0.01
    23   1     0.04  -0.34   0.15     0.01   0.03  -0.06    -0.05   0.22  -0.02
    24   1     0.07  -0.23   0.25     0.01   0.02  -0.10    -0.09  -0.08   0.00
    25   1     0.09   0.30  -0.16    -0.08  -0.05   0.14    -0.09  -0.12   0.15
    26   1     0.00   0.13   0.30    -0.14   0.01   0.12    -0.11   0.00  -0.04
    27   1     0.12   0.35  -0.05    -0.06   0.11  -0.02    -0.08   0.03  -0.09
    28   1     0.01   0.00  -0.02    -0.08  -0.01  -0.05    -0.03  -0.03  -0.19
    29   6     0.05  -0.01  -0.02    -0.01  -0.03  -0.03     0.02  -0.08  -0.11
    30   1    -0.07  -0.07   0.04     0.05  -0.02   0.05     0.15  -0.14   0.25
    31   1     0.08   0.01  -0.01     0.00  -0.01  -0.01     0.11  -0.05  -0.08
    32   1     0.08  -0.06  -0.07     0.00  -0.06  -0.06     0.06  -0.21  -0.18
    33   1     0.10   0.03   0.02     0.01  -0.03  -0.02     0.07  -0.02  -0.06
                     19                     20                     21
                      A                      A                      A
 Frequencies --    422.8734               502.4175               518.1681
 Red. masses --      2.9226                 3.3780                 3.0615
 Frc consts  --      0.3079                 0.5024                 0.4843
 IR Inten    --      1.0085                 1.6552                19.6331
 RamAct Fr= 1--      0.6575                 0.5023                 0.4533
  Dep-P Fr= 1--      0.1558                 0.4030                 0.1374
  Dep-U Fr= 1--      0.2695                 0.5745                 0.2416
 Alpha2 Fr= 1--      0.0100                 0.0037                 0.0072
 Beta2  Fr= 1--      0.0295                 0.0481                 0.0182
 AlphaG Fr= 1--      0.0366                -0.0052                -0.0035
 Gamma2 Fr= 1--      0.6297                 0.2121                -0.1178
 Delta2 Fr= 1--      0.1009                 0.0559                -0.0148
 Raman1 Fr= 1--       2.630                  2.009                  1.813
 ROA1   Fr= 1--      63.674                 22.151                -11.785
 CID1   Fr= 1--      24.209                 11.025                 -6.500
 Raman2 Fr= 1--       0.354                  0.577                  0.219
 ROA2   Fr= 1--      14.305                  4.644                 -2.710
 CID2   Fr= 1--      40.358                  8.047                -12.373
 Raman3 Fr= 1--       0.709                  1.154                  0.438
 ROA3   Fr= 1--      63.674                 22.151                -11.785
 CID3   Fr= 1--      89.821                 19.192                -26.907
 RC180  Fr= 1--      -0.461                  0.149                 -0.517
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08   0.04   0.15     0.02   0.01  -0.06    -0.09   0.05   0.05
     2   6    -0.04  -0.04   0.01     0.01   0.11   0.17    -0.01  -0.01  -0.04
     3   6     0.04  -0.07  -0.15     0.00  -0.02  -0.06    -0.05  -0.04  -0.06
     4   6     0.04   0.05  -0.00    -0.15   0.06   0.12     0.00  -0.08  -0.12
     5   6    -0.02   0.12   0.13    -0.02  -0.09  -0.03    -0.06  -0.05  -0.07
     6   6     0.07  -0.10  -0.13    -0.01  -0.05  -0.03    -0.11   0.04   0.06
     7   6    -0.05   0.06  -0.05     0.09   0.03   0.09     0.07  -0.05  -0.07
     8   6    -0.06  -0.02   0.00    -0.00  -0.02  -0.04     0.21  -0.01   0.02
     9   6     0.03  -0.03  -0.02     0.01  -0.04   0.00    -0.01   0.04   0.01
    10   6    -0.01   0.01   0.02     0.02   0.02  -0.03    -0.02  -0.01   0.03
    11   6     0.05   0.01   0.05    -0.14   0.08   0.02    -0.00   0.06   0.07
    12   6     0.04  -0.05   0.03    -0.09  -0.04  -0.05     0.05  -0.03   0.06
    13   8    -0.03  -0.04   0.00     0.04  -0.09  -0.03    -0.00  -0.05  -0.03
    14   8     0.04  -0.02  -0.07     0.08   0.02  -0.11     0.05   0.01  -0.06
    15   1    -0.16   0.12   0.30     0.05  -0.12  -0.24    -0.15   0.11   0.17
    16   1     0.05  -0.13  -0.34     0.14  -0.17  -0.21    -0.07  -0.00   0.02
    17   1    -0.07   0.22   0.29     0.08  -0.18  -0.22    -0.11  -0.03  -0.00
    18   1     0.19  -0.22  -0.26    -0.01  -0.12  -0.26    -0.19   0.12   0.16
    19   1    -0.08   0.10  -0.27     0.18   0.01   0.10     0.04  -0.04  -0.03
    20   1     0.01   0.26   0.05     0.16  -0.01   0.07     0.03  -0.05  -0.06
    21   1    -0.07  -0.00   0.03     0.03  -0.05  -0.09     0.20  -0.00   0.04
    22   1     0.08  -0.06  -0.03     0.02   0.01   0.03    -0.16   0.02  -0.00
    23   1     0.05  -0.10  -0.03     0.03  -0.10   0.00    -0.08   0.32   0.02
    24   1     0.07   0.06  -0.03     0.04  -0.04   0.04    -0.15  -0.17  -0.02
    25   1     0.00   0.06  -0.02     0.04   0.05  -0.08    -0.14  -0.13   0.27
    26   1     0.02   0.00   0.07     0.02   0.01   0.02    -0.15   0.01  -0.00
    27   1    -0.00   0.01   0.03     0.05   0.04  -0.01    -0.12   0.10  -0.17
    28   1    -0.01   0.02   0.09    -0.14   0.10   0.05    -0.05   0.09   0.15
    29   6    -0.01   0.04   0.06    -0.01   0.07   0.09     0.04   0.10   0.12
    30   1    -0.06   0.08  -0.13     0.37   0.25   0.15    -0.17   0.16  -0.19
    31   1    -0.07   0.03   0.06     0.04   0.13   0.20     0.07   0.14   0.19
    32   1    -0.03   0.10   0.10     0.01  -0.07   0.06     0.07   0.02   0.06
    33   1    -0.03  -0.01   0.04     0.02   0.03   0.12     0.09   0.09   0.16
                     22                     23                     24
                      A                      A                      A
 Frequencies --    597.9521               627.9958               641.7787
 Red. masses --      1.6463                 2.0248                 3.4887
 Frc consts  --      0.3468                 0.4705                 0.8466
 IR Inten    --     61.7871                39.5132                20.7044
 RamAct Fr= 1--      1.6453                 0.4400                 3.2348
  Dep-P Fr= 1--      0.3938                 0.6119                 0.6700
  Dep-U Fr= 1--      0.5650                 0.7592                 0.8024
 Alpha2 Fr= 1--      0.0125                 0.0011                 0.0046
 Beta2  Fr= 1--      0.1549                 0.0557                 0.4326
 AlphaG Fr= 1--      0.0031                 0.0077                -0.0240
 Gamma2 Fr= 1--     -1.0827                 0.1074                -0.2857
 Delta2 Fr= 1--     -0.0099                -0.1506                 0.1347
 Raman1 Fr= 1--       6.581                  1.760                 12.939
 ROA1   Fr= 1--    -104.256                  5.490                -23.116
 CID1   Fr= 1--     -15.842                  3.119                 -1.787
 Raman2 Fr= 1--       1.859                  0.668                  5.191
 ROA2   Fr= 1--     -25.906                  3.783                 -7.934
 CID2   Fr= 1--     -13.933                  5.662                 -1.528
 Raman3 Fr= 1--       3.719                  1.336                 10.382
 ROA3   Fr= 1--    -104.256                  5.490                -23.116
 CID3   Fr= 1--     -28.037                  4.109                 -2.226
 RC180  Fr= 1--       0.130                  0.518                  0.605
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.02   0.02    -0.04  -0.03   0.04     0.08  -0.06   0.09
     2   6     0.04  -0.04  -0.08    -0.10   0.03   0.05    -0.00  -0.06   0.01
     3   6     0.03  -0.02   0.01    -0.00  -0.05  -0.01     0.12   0.10  -0.02
     4   6     0.05  -0.06  -0.07     0.03   0.06   0.11     0.02   0.05  -0.04
     5   6     0.04  -0.02   0.02     0.02   0.04  -0.05    -0.06   0.09  -0.10
     6   6     0.03   0.03   0.03    -0.02   0.06  -0.00    -0.08  -0.06   0.02
     7   6    -0.03  -0.00  -0.01    -0.04  -0.04  -0.09    -0.02  -0.02  -0.01
     8   6    -0.05   0.01   0.01     0.10  -0.01   0.00    -0.00   0.00   0.00
     9   6    -0.00   0.01  -0.00     0.01   0.02   0.01    -0.00   0.01   0.00
    10   6    -0.00  -0.00   0.00     0.00  -0.01   0.02     0.00  -0.00   0.01
    11   6    -0.03   0.06  -0.03     0.10  -0.03   0.01    -0.04  -0.13   0.14
    12   6    -0.08  -0.03  -0.05     0.01   0.01  -0.05    -0.03   0.03   0.11
    13   8    -0.02  -0.02   0.03    -0.03   0.05   0.02     0.06  -0.11  -0.13
    14   8    -0.02  -0.02  -0.05    -0.05  -0.04  -0.01    -0.06   0.17  -0.01
    15   1    -0.01   0.13   0.18     0.08  -0.11  -0.14     0.01  -0.07   0.12
    16   1    -0.01   0.06   0.17     0.02  -0.14  -0.26     0.05   0.13  -0.06
    17   1    -0.02   0.06   0.16     0.05  -0.11  -0.27    -0.02   0.14  -0.06
    18   1    -0.03   0.11   0.19     0.11  -0.07  -0.15    -0.03  -0.07   0.12
    19   1    -0.05   0.00  -0.01    -0.04  -0.05  -0.08    -0.04  -0.02   0.02
    20   1    -0.06  -0.00  -0.01    -0.02  -0.02  -0.08    -0.02  -0.05  -0.03
    21   1    -0.05   0.01   0.01     0.06   0.04   0.08    -0.01   0.01   0.02
    22   1     0.03  -0.00  -0.01    -0.08   0.02   0.01    -0.00   0.01   0.00
    23   1     0.01  -0.05  -0.01    -0.05   0.19   0.03    -0.00   0.01   0.00
    24   1     0.03   0.06   0.00    -0.09  -0.12  -0.02    -0.01   0.00  -0.00
    25   1     0.02   0.02  -0.04    -0.08  -0.07   0.17    -0.00  -0.01   0.01
    26   1     0.03  -0.01  -0.00    -0.08   0.01   0.02    -0.00  -0.00  -0.00
    27   1     0.02  -0.04   0.05    -0.07   0.06  -0.12    -0.00  -0.01   0.01
    28   1     0.01   0.10   0.02     0.13  -0.04  -0.02    -0.08  -0.17   0.07
    29   6     0.01   0.05   0.05    -0.00  -0.01  -0.01    -0.01  -0.05  -0.03
    30   1     0.68   0.01   0.48     0.49  -0.18   0.36     0.38   0.42   0.36
    31   1     0.05   0.12   0.18    -0.08  -0.06  -0.07    -0.02  -0.20  -0.30
    32   1     0.01  -0.06   0.05    -0.05   0.13   0.11     0.03   0.07  -0.15
    33   1     0.02  -0.04   0.05    -0.09  -0.05  -0.09     0.05   0.21   0.05
                     25                     26                     27
                      A                      A                      A
 Frequencies --    665.6959               703.4642               769.4432
 Red. masses --      5.2652                 3.1641                 3.6831
 Frc consts  --      1.3747                 0.9225                 1.2847
 IR Inten    --      5.9923                34.0466                 8.8997
 RamAct Fr= 1--      4.6749                 0.3413                21.4594
  Dep-P Fr= 1--      0.5376                 0.6993                 0.0088
  Dep-U Fr= 1--      0.6993                 0.8231                 0.0174
 Alpha2 Fr= 1--      0.0191                 0.0003                 0.4672
 Beta2  Fr= 1--      0.5449                 0.0468                 0.0623
 AlphaG Fr= 1--     -0.0119                -0.0026                 0.0978
 Gamma2 Fr= 1--     -0.0584                 0.7240                 0.4536
 Delta2 Fr= 1--     -0.6026                 0.1580                 0.0468
 Raman1 Fr= 1--      18.700                  1.365                 85.838
 ROA1   Fr= 1--     -24.889                 74.556                 45.046
 CID1   Fr= 1--      -1.331                 54.618                  0.525
 Raman2 Fr= 1--       6.538                  0.562                  0.748
 ROA2   Fr= 1--       3.419                 16.111                 10.513
 CID2   Fr= 1--       0.523                 28.680                 14.053
 Raman3 Fr= 1--      13.077                  1.124                  1.496
 ROA3   Fr= 1--     -24.889                 74.556                 45.046
 CID3   Fr= 1--      -1.903                 66.359                 30.106
 RC180  Fr= 1--       0.399                  0.646                 -0.965
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.19   0.12  -0.12    -0.07  -0.01  -0.12    -0.05   0.15   0.02
     2   6    -0.00   0.07  -0.04     0.01   0.02   0.04     0.14  -0.09  -0.14
     3   6    -0.20  -0.15  -0.01    -0.12   0.03   0.02     0.02   0.04  -0.13
     4   6     0.00  -0.06   0.05     0.01  -0.05  -0.09    -0.13   0.08   0.13
     5   6     0.21  -0.10   0.12    -0.09   0.01   0.03     0.01  -0.13  -0.03
     6   6     0.23   0.17   0.01    -0.04  -0.06  -0.08    -0.05  -0.04   0.13
     7   6    -0.02   0.01  -0.04     0.10   0.08   0.17     0.08  -0.04  -0.05
     8   6     0.01  -0.00   0.00     0.02  -0.01  -0.01    -0.11   0.01  -0.00
     9   6     0.00   0.01  -0.00    -0.00  -0.06  -0.01    -0.02   0.08   0.00
    10   6    -0.00  -0.00   0.01     0.01   0.03  -0.06    -0.03  -0.03   0.06
    11   6    -0.03  -0.09   0.09     0.12  -0.07   0.07     0.02  -0.06   0.06
    12   6    -0.03   0.01   0.11     0.16   0.02   0.06     0.12   0.03  -0.00
    13   8     0.04  -0.11  -0.08    -0.04   0.06  -0.04    -0.00   0.08  -0.03
    14   8    -0.03   0.14   0.01    -0.07  -0.03  -0.04    -0.01  -0.06  -0.03
    15   1    -0.10   0.16  -0.12    -0.16  -0.02  -0.09    -0.20   0.15   0.12
    16   1    -0.14  -0.19  -0.01    -0.20   0.13   0.14     0.17  -0.10  -0.26
    17   1     0.14  -0.15   0.10    -0.18   0.09   0.20     0.17  -0.18  -0.20
    18   1     0.20   0.19  -0.02    -0.12   0.00  -0.07    -0.19   0.07   0.19
    19   1    -0.03   0.03  -0.17     0.11   0.08   0.14     0.05  -0.03  -0.07
    20   1     0.01   0.13   0.02     0.12   0.08   0.17     0.06  -0.04  -0.05
    21   1    -0.01   0.02   0.02     0.09  -0.08  -0.13    -0.07  -0.03  -0.07
    22   1    -0.01   0.01  -0.00     0.02  -0.06  -0.01     0.08   0.09   0.01
    23   1    -0.00   0.04   0.00     0.02  -0.11  -0.02     0.04  -0.11  -0.02
    24   1    -0.01  -0.00  -0.01     0.03  -0.04   0.01     0.09   0.24   0.03
    25   1    -0.01  -0.00   0.02     0.03   0.04  -0.10     0.06   0.04  -0.10
    26   1    -0.01   0.00   0.01     0.03   0.02  -0.05     0.07  -0.05   0.08
    27   1    -0.01   0.01  -0.01     0.04   0.02  -0.02     0.05  -0.12   0.23
    28   1    -0.04  -0.12   0.04     0.07  -0.08   0.07    -0.03  -0.09   0.02
    29   6    -0.01  -0.07  -0.05     0.02   0.01   0.03     0.01  -0.00   0.03
    30   1     0.10   0.40   0.15     0.46  -0.19   0.32     0.12  -0.26   0.03
    31   1    -0.01  -0.18  -0.25    -0.04  -0.08  -0.11    -0.05  -0.11  -0.16
    32   1     0.02   0.01  -0.13    -0.00   0.19   0.08    -0.01   0.16   0.04
    33   1     0.03   0.12   0.01    -0.02   0.07  -0.00    -0.02   0.13   0.02
                     28                     29                     30
                      A                      A                      A
 Frequencies --    778.4215               818.6302               838.6260
 Red. masses --      3.1503                 3.0379                 2.6289
 Frc consts  --      1.1247                 1.1995                 1.0893
 IR Inten    --      9.3848                 9.9325                 0.4500
 RamAct Fr= 1--     13.2274                 4.7654                12.7384
  Dep-P Fr= 1--      0.0562                 0.1218                 0.0250
  Dep-U Fr= 1--      0.1064                 0.2171                 0.0489
 Alpha2 Fr= 1--      0.2574                 0.0791                 0.2669
 Beta2  Fr= 1--      0.2346                 0.1724                 0.1038
 AlphaG Fr= 1--      0.0363                -0.0082                 0.0784
 Gamma2 Fr= 1--      0.0980                 1.4585                 0.7386
 Delta2 Fr= 1--     -0.1113                 0.1007                 0.2938
 Raman1 Fr= 1--      52.909                 19.062                 50.954
 ROA1   Fr= 1--       5.847                143.241                 80.310
 CID1   Fr= 1--       0.111                  7.515                  1.576
 Raman2 Fr= 1--       2.816                  2.069                  1.245
 ROA2   Fr= 1--       3.243                 34.198                 15.377
 CID2   Fr= 1--       1.152                 16.526                 12.350
 Raman3 Fr= 1--       5.631                  4.139                  2.490
 ROA3   Fr= 1--       5.847                143.241                 80.310
 CID3   Fr= 1--       1.038                 34.611                 32.249
 RC180  Fr= 1--      -0.787                 -0.566                 -0.902
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.02   0.04     0.04   0.03   0.04    -0.03  -0.04   0.04
     2   6     0.01  -0.07  -0.12     0.01  -0.03  -0.06     0.03  -0.04  -0.08
     3   6     0.00  -0.08  -0.06     0.05   0.01   0.01    -0.05  -0.08   0.02
     4   6    -0.00   0.07   0.13    -0.05   0.02   0.03     0.03   0.02   0.04
     5   6     0.02   0.02  -0.11     0.03  -0.04   0.06    -0.06   0.06  -0.03
     6   6    -0.01   0.06  -0.00     0.00  -0.00   0.06    -0.06   0.05   0.00
     7   6    -0.02   0.09   0.17    -0.12   0.05   0.04     0.13   0.02   0.04
     8   6     0.08   0.01   0.03     0.06   0.02   0.05    -0.04   0.00  -0.01
     9   6    -0.00  -0.14  -0.01     0.00  -0.12   0.00    -0.02   0.04  -0.00
    10   6     0.02   0.07  -0.12     0.02   0.06  -0.10    -0.02  -0.02   0.04
    11   6     0.03  -0.03   0.04    -0.08   0.08  -0.07     0.12   0.10  -0.10
    12   6    -0.13   0.01  -0.10     0.21  -0.01   0.16    -0.00  -0.05   0.09
    13   8     0.04  -0.00   0.02    -0.06   0.01  -0.04    -0.04  -0.09   0.02
    14   8     0.04  -0.00   0.03    -0.05  -0.00  -0.04    -0.03   0.08   0.03
    15   1    -0.13   0.18   0.36     0.10   0.01  -0.02    -0.02  -0.02   0.06
    16   1    -0.10  -0.00  -0.02     0.19  -0.13  -0.11    -0.08  -0.10  -0.12
    17   1    -0.08   0.06   0.01     0.18  -0.17  -0.21    -0.03  -0.15  -0.32
    18   1    -0.10   0.23   0.37     0.05  -0.07  -0.08    -0.01  -0.02  -0.13
    19   1    -0.13   0.12   0.17    -0.22   0.06   0.10     0.14   0.01   0.08
    20   1    -0.12   0.12   0.19    -0.25   0.04   0.04     0.12  -0.03   0.02
    21   1     0.13  -0.04  -0.05     0.02   0.05   0.11     0.05  -0.11  -0.17
    22   1    -0.05  -0.20  -0.04    -0.07  -0.21  -0.05     0.07   0.07   0.01
    23   1    -0.01  -0.06  -0.02    -0.03   0.02  -0.01     0.03  -0.13  -0.02
    24   1    -0.04  -0.18  -0.03    -0.07  -0.18  -0.05     0.08   0.16   0.04
    25   1    -0.00   0.02  -0.06    -0.04  -0.02   0.03     0.05   0.04  -0.09
    26   1    -0.01   0.08  -0.19    -0.04   0.09  -0.20     0.05  -0.04   0.08
    27   1    -0.00   0.08  -0.17    -0.04   0.07  -0.19     0.05  -0.06   0.15
    28   1     0.10  -0.07  -0.06    -0.21   0.15   0.11     0.12   0.16   0.00
    29   6     0.01  -0.01   0.01    -0.03  -0.03  -0.07     0.03  -0.02  -0.09
    30   1    -0.12  -0.01  -0.09     0.13   0.00   0.09    -0.02   0.31   0.08
    31   1    -0.06  -0.08  -0.11     0.07   0.12   0.18    -0.05   0.12   0.21
    32   1    -0.03   0.14   0.08     0.01  -0.30  -0.15    -0.06  -0.07   0.14
    33   1    -0.06   0.03  -0.04     0.07  -0.15  -0.01    -0.09  -0.43  -0.24
                     31                     32                     33
                      A                      A                      A
 Frequencies --    852.3833               857.0206               872.5558
 Red. masses --      2.4864                 1.4125                 1.9313
 Frc consts  --      1.0644                 0.6112                 0.8664
 IR Inten    --      7.1040                 1.1679                21.3620
 RamAct Fr= 1--     10.9588                 2.2365                 2.3755
  Dep-P Fr= 1--      0.1715                 0.5085                 0.5986
  Dep-U Fr= 1--      0.2928                 0.6741                 0.7489
 Alpha2 Fr= 1--      0.1603                 0.0106                 0.0067
 Beta2  Fr= 1--      0.5348                 0.2513                 0.2965
 AlphaG Fr= 1--     -0.1220                 0.0035                -0.0123
 Gamma2 Fr= 1--      0.5969                -0.9074                 0.1276
 Delta2 Fr= 1--     -0.0864                -0.9597                 0.1879
 Raman1 Fr= 1--      43.835                  8.946                  9.502
 ROA1   Fr= 1--      54.541               -117.819                 18.263
 CID1   Fr= 1--       1.244                -13.170                  1.922
 Raman2 Fr= 1--       6.418                  3.015                  3.558
 ROA2   Fr= 1--      15.018                -14.100                  1.559
 CID2   Fr= 1--       2.340                 -4.676                  0.438
 Raman3 Fr= 1--      12.836                  6.031                  7.116
 ROA3   Fr= 1--      54.541               -117.819                 18.263
 CID3   Fr= 1--       4.249                -19.536                  2.567
 RC180  Fr= 1--      -0.414                  0.348                  0.498
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.10  -0.06    -0.02   0.07   0.03     0.03   0.00  -0.10
     2   6     0.04  -0.02  -0.02     0.01   0.00   0.01    -0.03   0.05   0.09
     3   6     0.02   0.11  -0.04    -0.01   0.07   0.04     0.05   0.01  -0.09
     4   6     0.01  -0.05  -0.08    -0.01   0.00   0.00    -0.05   0.05   0.08
     5   6    -0.02  -0.04   0.13     0.02  -0.07  -0.04     0.02  -0.08  -0.00
     6   6    -0.05  -0.07   0.10     0.00  -0.07  -0.04    -0.01  -0.08  -0.01
     7   6    -0.06   0.01  -0.01    -0.02  -0.01  -0.00    -0.06  -0.00  -0.05
     8   6     0.01   0.02   0.04     0.00   0.00   0.01     0.02  -0.01  -0.03
     9   6    -0.00  -0.06   0.01     0.00  -0.01   0.00     0.01   0.02  -0.01
    10   6     0.01   0.04  -0.04     0.00   0.01  -0.01     0.01  -0.02   0.02
    11   6     0.13  -0.03  -0.01     0.06   0.02  -0.03     0.07   0.04  -0.03
    12   6    -0.12  -0.01  -0.04    -0.02  -0.02   0.01     0.02  -0.02   0.04
    13   8     0.01  -0.05   0.03    -0.01  -0.03   0.01    -0.02  -0.03   0.01
    14   8     0.01   0.04   0.04    -0.01   0.03   0.01    -0.02   0.03   0.01
    15   1    -0.09   0.02  -0.12     0.12  -0.21  -0.41    -0.22   0.30   0.42
    16   1     0.08   0.08  -0.01     0.20  -0.21  -0.38    -0.11   0.29   0.42
    17   1     0.25  -0.28  -0.36    -0.14   0.20   0.42    -0.03   0.08   0.23
    18   1     0.07  -0.30  -0.41    -0.19   0.18   0.35    -0.14   0.06   0.18
    19   1    -0.14   0.02   0.01    -0.03  -0.00  -0.03     0.01  -0.02  -0.01
    20   1    -0.13   0.02   0.01    -0.03   0.02   0.01    -0.01  -0.06  -0.08
    21   1    -0.02   0.05   0.08    -0.01   0.02   0.03    -0.05   0.04   0.09
    22   1    -0.03  -0.12  -0.03    -0.01  -0.02  -0.00    -0.03   0.06   0.01
    23   1    -0.01   0.01  -0.01    -0.00   0.03  -0.00    -0.02   0.07   0.03
    24   1    -0.03  -0.06  -0.03    -0.02  -0.03  -0.01    -0.03  -0.07  -0.00
    25   1    -0.01  -0.02   0.00    -0.00   0.00   0.00    -0.04  -0.03   0.11
    26   1    -0.01   0.05  -0.12    -0.01   0.01  -0.02    -0.05  -0.01   0.06
    27   1    -0.02   0.01  -0.07    -0.00   0.01  -0.02    -0.03   0.05  -0.08
    28   1     0.23  -0.05  -0.09     0.09   0.02  -0.03     0.07   0.06   0.01
    29   6     0.05   0.04   0.04     0.02  -0.00  -0.02     0.02  -0.03  -0.06
    30   1    -0.06   0.13   0.01    -0.02   0.09   0.02     0.01   0.09   0.04
    31   1    -0.08  -0.03  -0.03    -0.04   0.01   0.04    -0.06   0.01   0.06
    32   1    -0.03   0.25   0.20    -0.03   0.05   0.10    -0.05   0.04   0.11
    33   1    -0.09  -0.05  -0.09    -0.05  -0.13  -0.09    -0.08  -0.24  -0.17
                     34                     35                     36
                      A                      A                      A
 Frequencies --    900.4688               942.5540               958.2125
 Red. masses --      1.5435                 1.2142                 1.5395
 Frc consts  --      0.7374                 0.6355                 0.8328
 IR Inten    --      0.2029                 0.3146                 0.0826
 RamAct Fr= 1--      0.6052                 0.4041                 4.7077
  Dep-P Fr= 1--      0.5467                 0.5643                 0.7494
  Dep-U Fr= 1--      0.7069                 0.7214                 0.8568
 Alpha2 Fr= 1--      0.0024                 0.0014                 0.0000
 Beta2  Fr= 1--      0.0713                 0.0486                 0.6722
 AlphaG Fr= 1--     -0.0054                -0.0039                 0.0026
 Gamma2 Fr= 1--     -0.2360                 0.2595                -0.4630
 Delta2 Fr= 1--     -0.2834                 0.1984                 0.6147
 Raman1 Fr= 1--       2.421                  1.616                 18.831
 ROA1   Fr= 1--     -31.723                 31.262                -24.778
 CID1   Fr= 1--     -13.104                 19.339                 -1.316
 Raman2 Fr= 1--       0.856                  0.583                  8.067
 ROA2   Fr= 1--      -3.396                  4.641                -16.030
 CID2   Fr= 1--      -3.969                  7.960                 -1.987
 Raman3 Fr= 1--       1.711                  1.166                 16.133
 ROA3   Fr= 1--     -31.723                 31.262                -24.778
 CID3   Fr= 1--     -18.537                 26.806                 -1.536
 RC180  Fr= 1--       0.414                  0.443                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.03   0.02    -0.00  -0.01   0.01     0.00   0.00  -0.00
     2   6     0.00   0.01  -0.01     0.00   0.01  -0.00    -0.01  -0.00  -0.00
     3   6    -0.03  -0.01   0.00    -0.01  -0.00   0.00     0.00   0.02   0.01
     4   6     0.00   0.01  -0.01     0.00   0.01  -0.00     0.00  -0.01  -0.02
     5   6     0.03  -0.01   0.01     0.01  -0.00   0.00    -0.03   0.04   0.09
     6   6     0.01  -0.03   0.02     0.00  -0.01   0.01     0.04  -0.05  -0.08
     7   6     0.02   0.15  -0.08     0.01   0.06  -0.03    -0.06   0.04   0.05
     8   6     0.01   0.05  -0.02    -0.00  -0.02   0.01     0.02  -0.04  -0.07
     9   6    -0.05  -0.05  -0.02     0.03  -0.01   0.07     0.02   0.05  -0.04
    10   6     0.04  -0.02   0.05    -0.03  -0.06  -0.04     0.01  -0.06   0.02
    11   6    -0.00  -0.01   0.00    -0.00  -0.00  -0.00    -0.00  -0.01  -0.01
    12   6    -0.01   0.00  -0.01    -0.00   0.00  -0.00    -0.00   0.00   0.00
    13   8     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    14   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    15   1    -0.01  -0.07  -0.03    -0.01  -0.02   0.00    -0.01   0.03   0.04
    16   1    -0.05  -0.02  -0.07    -0.03   0.00  -0.02     0.07  -0.07  -0.11
    17   1     0.05   0.04   0.05     0.03   0.01   0.02     0.22  -0.28  -0.49
    18   1     0.02  -0.03   0.04     0.01  -0.02   0.01    -0.19   0.28   0.50
    19   1     0.02   0.07   0.51     0.03   0.02   0.21    -0.06   0.04   0.05
    20   1    -0.06  -0.38  -0.34    -0.04  -0.16  -0.14    -0.06   0.02   0.04
    21   1    -0.02  -0.19   0.10     0.03   0.25  -0.14     0.03  -0.05  -0.08
    22   1     0.13  -0.00   0.01    -0.13  -0.42  -0.15     0.01   0.24   0.07
    23   1     0.03  -0.35  -0.04     0.04   0.36  -0.11    -0.02   0.01   0.06
    24   1     0.11   0.14   0.05    -0.06   0.14  -0.15    -0.01  -0.11   0.04
    25   1    -0.09  -0.15   0.30     0.04   0.29  -0.24    -0.02   0.05   0.05
    26   1    -0.13   0.02  -0.03     0.06  -0.12   0.44    -0.04  -0.08   0.25
    27   1    -0.08   0.05  -0.15     0.10   0.18  -0.03     0.01   0.11  -0.09
    28   1    -0.02  -0.03  -0.02    -0.01  -0.01  -0.01     0.00  -0.02  -0.02
    29   6     0.00  -0.00   0.01     0.00  -0.00   0.00    -0.00   0.01   0.02
    30   1    -0.00  -0.01  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    31   1    -0.01  -0.03  -0.04    -0.00  -0.01  -0.01     0.01   0.00  -0.01
    32   1     0.00   0.03   0.00     0.00   0.01   0.00     0.01   0.01  -0.01
    33   1    -0.00   0.04   0.01    -0.00   0.01   0.00     0.01   0.04   0.03
                     37                     38                     39
                      A                      A                      A
 Frequencies --    969.7335               973.7294               982.2434
 Red. masses --      1.6949                 1.5758                 1.4190
 Frc consts  --      0.9391                 0.8803                 0.8066
 IR Inten    --      0.2378                 0.0160                 0.1738
 RamAct Fr= 1--      4.0245                 3.0534                 1.0198
  Dep-P Fr= 1--      0.7367                 0.7196                 0.5880
  Dep-U Fr= 1--      0.8484                 0.8369                 0.7405
 Alpha2 Fr= 1--      0.0009                 0.0016                 0.0031
 Beta2  Fr= 1--      0.5691                 0.4259                 0.1259
 AlphaG Fr= 1--     -0.0156                -0.0052                 0.0047
 Gamma2 Fr= 1--      1.2434                -0.1146                -0.6124
 Delta2 Fr= 1--     -0.4803                -0.2110                -0.0100
 Raman1 Fr= 1--      16.098                 12.214                  4.079
 ROA1   Fr= 1--     103.995                -17.752                -59.109
 CID1   Fr= 1--       6.460                 -1.453                -14.490
 Raman2 Fr= 1--       6.829                  5.111                  1.510
 ROA2   Fr= 1--      33.684                 -1.061                -14.618
 CID2   Fr= 1--       4.932                 -0.208                 -9.678
 Raman3 Fr= 1--      13.658                 10.222                  3.021
 ROA3   Fr= 1--     103.995                -17.752                -59.109
 CID3   Fr= 1--       7.614                 -1.737                -19.567
 RC180  Fr= 1--       0.697                  0.674                  0.481
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02   0.03     0.00   0.01  -0.00     0.04  -0.06  -0.09
     2   6     0.00   0.02   0.04    -0.00  -0.01  -0.00    -0.00   0.02   0.03
     3   6     0.01  -0.04  -0.04     0.01   0.00  -0.00    -0.04   0.04   0.09
     4   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.01  -0.02
     5   6    -0.03   0.05   0.04    -0.00  -0.00  -0.01    -0.01   0.01  -0.00
     6   6     0.03  -0.04  -0.08    -0.00   0.01   0.00     0.01   0.00  -0.01
     7   6     0.07  -0.06  -0.08    -0.01  -0.04   0.03     0.03  -0.03  -0.04
     8   6    -0.04   0.05   0.09    -0.01  -0.10   0.05    -0.02   0.02   0.04
     9   6    -0.03  -0.06   0.06    -0.05   0.11   0.06    -0.01  -0.02   0.02
    10   6    -0.00   0.08  -0.03     0.07  -0.01  -0.11     0.00   0.03  -0.01
    11   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.01  -0.02
    12   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    13   8    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    15   1     0.07  -0.12  -0.18     0.00   0.01  -0.00    -0.21   0.32   0.54
    16   1    -0.13   0.15   0.26     0.01   0.00   0.01     0.21  -0.33  -0.51
    17   1     0.10  -0.16  -0.32    -0.02   0.01   0.02     0.01  -0.02  -0.05
    18   1    -0.17   0.24   0.42     0.01  -0.01  -0.04    -0.02   0.05   0.07
    19   1     0.12  -0.07  -0.08     0.01  -0.03  -0.11     0.08  -0.04  -0.05
    20   1     0.12  -0.05  -0.08    -0.01   0.08   0.09     0.07  -0.03  -0.04
    21   1    -0.07   0.07   0.16    -0.03  -0.33   0.17    -0.05   0.04   0.09
    22   1    -0.02  -0.34  -0.09     0.15  -0.08  -0.04    -0.02  -0.14  -0.04
    23   1     0.03   0.01  -0.08     0.09  -0.13  -0.10     0.01   0.02  -0.03
    24   1     0.01   0.18  -0.06     0.16   0.53   0.03     0.00   0.07  -0.03
    25   1     0.01  -0.07  -0.01    -0.10   0.04   0.16    -0.00  -0.04   0.01
    26   1     0.01   0.10  -0.31    -0.16   0.01   0.11     0.00   0.05  -0.14
    27   1    -0.03  -0.11   0.06    -0.06   0.30  -0.48    -0.02  -0.05   0.02
    28   1    -0.00   0.00   0.01     0.01   0.01   0.01    -0.01  -0.03  -0.07
    29   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.02   0.02
    30   1     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.01   0.00
    31   1     0.00   0.00   0.00     0.00   0.01   0.01    -0.01  -0.01  -0.02
    32   1    -0.00   0.00   0.00    -0.00  -0.01  -0.00     0.01   0.04   0.01
    33   1    -0.00  -0.01  -0.00     0.00  -0.01  -0.00    -0.00   0.05   0.02
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1014.6060              1046.9044              1083.7729
 Red. masses --      1.9204                 2.8566                 2.1263
 Frc consts  --      1.1648                 1.8447                 1.4715
 IR Inten    --      2.2265                 4.5330                54.6746
 RamAct Fr= 1--     11.2154                 0.0829                 3.0564
  Dep-P Fr= 1--      0.2712                 0.4005                 0.7439
  Dep-U Fr= 1--      0.4266                 0.5720                 0.8532
 Alpha2 Fr= 1--      0.1252                 0.0006                 0.0003
 Beta2  Fr= 1--      0.7975                 0.0079                 0.4346
 AlphaG Fr= 1--      0.0399                -0.0004                 0.0065
 Gamma2 Fr= 1--      0.5572                -0.1104                -3.8524
 Delta2 Fr= 1--     -0.9258                 0.1409                -1.3772
 Raman1 Fr= 1--      44.862                  0.331                 12.226
 ROA1   Fr= 1--      23.865                 -6.090               -413.897
 CID1   Fr= 1--       0.532                -18.372                -33.855
 Raman2 Fr= 1--       9.570                  0.095                  5.215
 ROA2   Fr= 1--      20.779                 -3.776                -81.439
 CID2   Fr= 1--       2.171                -39.833                -15.616
 Raman3 Fr= 1--      19.139                  0.190                 10.430
 ROA3   Fr= 1--      23.865                 -6.090               -413.897
 CID3   Fr= 1--       1.247                -32.120                -39.682
 RC180  Fr= 1--      -0.147                  0.144                  0.706
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.04  -0.06     0.00  -0.17   0.10     0.01  -0.02   0.01
     2   6    -0.00  -0.01   0.01    -0.03  -0.01  -0.01    -0.01   0.04  -0.02
     3   6    -0.01   0.05   0.00     0.05   0.18  -0.09    -0.02  -0.00   0.00
     4   6     0.07  -0.03   0.02    -0.04  -0.01  -0.01     0.05   0.03  -0.01
     5   6    -0.00   0.02   0.00     0.01  -0.17   0.10     0.02  -0.04   0.04
     6   6    -0.03  -0.04   0.01     0.05   0.18  -0.09    -0.05  -0.04   0.00
     7   6     0.01   0.01  -0.01     0.01  -0.00   0.00     0.01   0.02  -0.01
     8   6     0.00   0.01  -0.00     0.00   0.01   0.00    -0.00  -0.07   0.04
     9   6    -0.00  -0.01   0.00    -0.01  -0.00   0.00     0.02   0.03  -0.01
    10   6    -0.00  -0.00   0.01    -0.00   0.00   0.00    -0.02   0.03  -0.02
    11   6     0.03   0.03   0.18     0.01  -0.01   0.02     0.04   0.19   0.03
    12   6    -0.06   0.02  -0.05    -0.01   0.01  -0.00    -0.05   0.05   0.06
    13   8     0.03   0.03  -0.01     0.00   0.01  -0.00    -0.00   0.00   0.01
    14   8     0.02  -0.02  -0.01     0.00  -0.00  -0.00     0.02  -0.09  -0.03
    15   1    -0.14   0.05   0.01    -0.30  -0.34   0.09     0.06   0.00   0.02
    16   1     0.03  -0.03  -0.16    -0.19   0.30  -0.26    -0.16   0.06  -0.12
    17   1     0.00  -0.02  -0.06    -0.28  -0.34   0.07     0.10  -0.02   0.02
    18   1    -0.01  -0.04   0.04    -0.19   0.31  -0.24    -0.18   0.02  -0.06
    19   1    -0.03   0.01   0.02     0.02  -0.00   0.00     0.25  -0.05   0.02
    20   1     0.04  -0.02  -0.02     0.05  -0.01  -0.01    -0.27   0.00   0.01
    21   1     0.01   0.01  -0.01     0.02  -0.01  -0.02     0.01  -0.11   0.02
    22   1     0.00  -0.03  -0.01     0.01  -0.03  -0.01    -0.01   0.10   0.03
    23   1     0.00  -0.01  -0.01     0.01  -0.01  -0.01    -0.01   0.07   0.04
    24   1     0.00   0.02  -0.01     0.01   0.03  -0.00    -0.01  -0.05   0.02
    25   1     0.00  -0.00   0.00     0.00  -0.00  -0.01     0.03   0.01  -0.11
    26   1     0.00  -0.00   0.01     0.01   0.00  -0.01     0.05   0.03  -0.11
    27   1     0.00  -0.00   0.01     0.00  -0.01   0.02     0.01  -0.06   0.07
    28   1     0.21   0.27   0.54     0.06   0.04   0.10     0.16   0.06  -0.27
    29   6    -0.07  -0.05  -0.12     0.01   0.00  -0.02    -0.05  -0.13   0.02
    30   1     0.02  -0.07  -0.02     0.00  -0.01  -0.00     0.01   0.28   0.03
    31   1     0.12   0.15   0.21    -0.01   0.04   0.06     0.05  -0.31  -0.38
    32   1    -0.01  -0.50  -0.22    -0.01  -0.03   0.03     0.05   0.02  -0.25
    33   1     0.11  -0.22   0.02    -0.00  -0.08  -0.03     0.02   0.31   0.11
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1095.0043              1103.8368              1110.1409
 Red. masses --      1.5980                 2.0355                 1.4810
 Frc consts  --      1.1289                 1.4613                 1.0754
 IR Inten    --      7.0088                45.9944                 0.8120
 RamAct Fr= 1--      0.8658                 7.9865                 5.0545
  Dep-P Fr= 1--      0.5265                 0.1893                 0.1616
  Dep-U Fr= 1--      0.6898                 0.3184                 0.2782
 Alpha2 Fr= 1--      0.0038                 0.1116                 0.0759
 Beta2  Fr= 1--      0.0995                 0.4238                 0.2344
 AlphaG Fr= 1--     -0.0060                 0.0419                -0.0033
 Gamma2 Fr= 1--      1.1126                 1.7988                -0.6429
 Delta2 Fr= 1--      0.6822                 3.1118                -0.1255
 Raman1 Fr= 1--       3.463                 31.946                 20.218
 ROA1   Fr= 1--     128.642                272.264                -65.738
 CID1   Fr= 1--      37.146                  8.523                 -3.251
 Raman2 Fr= 1--       1.194                  5.085                  2.813
 ROA2   Fr= 1--      21.246                 18.276                -14.426
 CID2   Fr= 1--      17.787                  3.594                 -5.129
 Raman3 Fr= 1--       2.389                 10.171                  5.626
 ROA3   Fr= 1--     128.642                272.264                -65.738
 CID3   Fr= 1--      53.849                 26.769                -11.686
 RC180  Fr= 1--       0.380                 -0.363                 -0.444
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.04   0.03     0.02   0.01   0.00     0.01   0.01  -0.02
     2   6     0.02   0.04  -0.02     0.02  -0.03   0.01    -0.08   0.02   0.02
     3   6    -0.03  -0.03   0.01     0.00  -0.01   0.02     0.02   0.01   0.00
     4   6    -0.02   0.01  -0.05    -0.03  -0.02  -0.06    -0.00  -0.00  -0.01
     5   6     0.01  -0.00   0.01    -0.03   0.01  -0.00     0.02  -0.01   0.02
     6   6     0.00  -0.02   0.02     0.02   0.04  -0.01     0.00  -0.01  -0.01
     7   6     0.00   0.04  -0.02    -0.01  -0.04   0.03    -0.01  -0.02  -0.03
     8   6    -0.02  -0.09   0.05    -0.01   0.09  -0.05     0.14  -0.00   0.01
     9   6     0.04   0.04  -0.02    -0.02  -0.04   0.01    -0.08   0.01   0.02
    10   6    -0.02   0.04  -0.03     0.04  -0.04   0.03    -0.07   0.02   0.01
    11   6    -0.05  -0.03   0.08    -0.06   0.12   0.09    -0.02   0.00   0.01
    12   6    -0.00  -0.00  -0.03    -0.04   0.05   0.04    -0.00   0.00  -0.00
    13   8     0.02   0.02  -0.01     0.02   0.03  -0.02     0.00   0.01  -0.00
    14   8     0.00   0.02   0.00     0.02  -0.08  -0.03     0.00  -0.00  -0.00
    15   1     0.09  -0.02   0.02     0.07   0.04   0.00     0.06   0.08   0.04
    16   1    -0.09  -0.02  -0.07     0.12  -0.09   0.04     0.07  -0.01   0.03
    17   1     0.17   0.06  -0.01    -0.06  -0.04  -0.06     0.06   0.00   0.02
    18   1    -0.02  -0.01   0.00     0.03   0.03  -0.03     0.03  -0.01   0.08
    19   1     0.36  -0.06   0.06    -0.27   0.04  -0.08    -0.26   0.03   0.03
    20   1    -0.35  -0.02  -0.02     0.34   0.02   0.03    -0.21   0.06   0.03
    21   1    -0.05  -0.12   0.11    -0.04   0.17  -0.01     0.37  -0.23  -0.37
    22   1    -0.04   0.16   0.04     0.00  -0.12  -0.03     0.16  -0.06  -0.02
    23   1    -0.03   0.14   0.07     0.01  -0.07  -0.04     0.06  -0.28  -0.10
    24   1    -0.03  -0.12   0.01    -0.00   0.03  -0.02     0.14   0.31   0.08
    25   1     0.03   0.00  -0.11    -0.05  -0.01   0.16     0.09   0.05  -0.26
    26   1     0.04   0.04  -0.14    -0.07  -0.03   0.14     0.16  -0.02  -0.03
    27   1    -0.00  -0.05   0.05    -0.02   0.08  -0.12     0.09  -0.12   0.30
    28   1    -0.31   0.02   0.27    -0.21   0.06   0.05    -0.08  -0.00   0.03
    29   6     0.08   0.00  -0.04     0.10  -0.09  -0.04     0.02  -0.01  -0.01
    30   1     0.00  -0.14  -0.03     0.00   0.13  -0.00     0.00  -0.02  -0.01
    31   1    -0.17   0.02   0.09    -0.23  -0.24  -0.19    -0.05  -0.02  -0.01
    32   1    -0.06   0.16   0.28    -0.04   0.33   0.25    -0.01   0.07   0.07
    33   1    -0.12  -0.31  -0.25    -0.19  -0.18  -0.30    -0.04  -0.05  -0.06
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1146.1907              1161.8647              1202.8117
 Red. masses --      1.5531                 2.0650                 2.0119
 Frc consts  --      1.2022                 1.6424                 1.7150
 IR Inten    --     46.6366               157.5915                 0.7332
 RamAct Fr= 1--      1.6464                 1.0866                 8.5627
  Dep-P Fr= 1--      0.2540                 0.7238                 0.2785
  Dep-U Fr= 1--      0.4051                 0.8398                 0.4357
 Alpha2 Fr= 1--      0.0193                 0.0005                 0.0936
 Beta2  Fr= 1--      0.1112                 0.1521                 0.6217
 AlphaG Fr= 1--      0.0073                -0.0052                -0.0194
 Gamma2 Fr= 1--     -0.2273                -1.3524                 0.0126
 Delta2 Fr= 1--     -0.1715                -0.6390                 0.4747
 Raman1 Fr= 1--       6.585                  4.347                 34.251
 ROA1   Fr= 1--     -27.311               -150.283                 16.402
 CID1   Fr= 1--      -4.147                -34.576                  0.479
 Raman2 Fr= 1--       1.334                  1.825                  7.461
 ROA2   Fr= 1--      -4.084                -27.346                 -3.495
 CID2   Fr= 1--      -3.061                -14.984                 -0.468
 Raman3 Fr= 1--       2.668                  3.650                 14.922
 ROA3   Fr= 1--     -27.311               -150.283                 16.402
 CID3   Fr= 1--     -10.236                -41.172                  1.099
 RC180  Fr= 1--      -0.190                  0.680                 -0.129
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.00  -0.02    -0.05   0.01  -0.02     0.02  -0.01   0.01
     2   6    -0.00  -0.02   0.01    -0.00  -0.01   0.00     0.06   0.02   0.04
     3   6     0.05   0.02   0.01     0.05   0.01   0.02    -0.03  -0.02  -0.00
     4   6    -0.05  -0.04   0.01     0.05   0.00   0.00    -0.03  -0.00  -0.01
     5   6    -0.06   0.03  -0.04    -0.04  -0.01  -0.00    -0.02   0.02  -0.02
     6   6     0.08   0.02   0.02     0.03   0.00   0.01     0.02   0.01  -0.00
     7   6     0.00   0.04  -0.03     0.00   0.01  -0.01     0.02  -0.03  -0.06
     8   6    -0.00  -0.05   0.03    -0.00  -0.01   0.01     0.04   0.09   0.18
     9   6     0.02   0.02  -0.01     0.01   0.00  -0.00    -0.05  -0.02  -0.12
    10   6    -0.02   0.02  -0.01    -0.00   0.01  -0.00    -0.05  -0.08  -0.09
    11   6    -0.00  -0.01  -0.01    -0.00   0.13   0.02     0.02   0.01   0.01
    12   6    -0.03   0.05   0.07     0.06  -0.11  -0.12     0.00  -0.00  -0.00
    13   8     0.01   0.02  -0.01    -0.02  -0.04   0.03    -0.00  -0.00   0.00
    14   8     0.01  -0.07  -0.02    -0.01   0.13   0.02    -0.00   0.01   0.00
    15   1    -0.37  -0.17  -0.05    -0.29  -0.12  -0.04    -0.06  -0.04   0.02
    16   1     0.33  -0.11   0.21     0.24  -0.08   0.12    -0.04  -0.01  -0.01
    17   1    -0.33  -0.12  -0.06    -0.33  -0.20  -0.05    -0.02   0.02  -0.02
    18   1     0.44  -0.15   0.26     0.17  -0.07   0.11    -0.06   0.06  -0.03
    19   1     0.11  -0.00   0.09     0.03   0.00   0.03    -0.09  -0.01   0.00
    20   1    -0.14  -0.05  -0.06    -0.03  -0.02  -0.02    -0.08   0.03  -0.02
    21   1    -0.00  -0.10   0.05    -0.01  -0.03   0.02    -0.04   0.18   0.33
    22   1    -0.01   0.07   0.02    -0.01   0.02   0.00     0.11   0.34   0.09
    23   1    -0.01   0.06   0.03    -0.00   0.02   0.01    -0.09  -0.37   0.13
    24   1    -0.01  -0.04   0.00    -0.01  -0.01  -0.00     0.08  -0.19   0.17
    25   1     0.02   0.01  -0.08     0.00  -0.00  -0.01    -0.01   0.32  -0.24
    26   1     0.03   0.02  -0.06     0.00   0.01  -0.02     0.05  -0.12   0.34
    27   1     0.00  -0.03   0.05    -0.00  -0.01   0.01     0.12   0.23  -0.06
    28   1     0.20  -0.01  -0.10    -0.31   0.11   0.12     0.06   0.02   0.02
    29   6     0.01   0.01  -0.01    -0.01  -0.09   0.03    -0.01  -0.01   0.00
    30   1    -0.02   0.25   0.03     0.04  -0.47  -0.06     0.00  -0.02  -0.00
    31   1    -0.01   0.04   0.05    -0.02  -0.23  -0.25     0.02  -0.01  -0.01
    32   1    -0.01   0.00   0.04     0.03   0.13  -0.09     0.00  -0.01  -0.02
    33   1    -0.01  -0.05  -0.04    -0.04   0.19   0.03     0.01   0.02   0.02
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1213.1278              1223.4806              1236.4778
 Red. masses --      1.3080                 2.0005                 2.4868
 Frc consts  --      1.1342                 1.7643                 2.2400
 IR Inten    --      4.4393                12.7242                 2.1598
 RamAct Fr= 1--     47.6240                33.1284                32.2938
  Dep-P Fr= 1--      0.1008                 0.1578                 0.1747
  Dep-U Fr= 1--      0.1832                 0.2726                 0.2974
 Alpha2 Fr= 1--      0.8321                 0.5021                 0.4686
 Beta2  Fr= 1--      1.4541                 1.5051                 1.6008
 AlphaG Fr= 1--      0.0597                 0.0064                 0.0671
 Gamma2 Fr= 1--      3.3916                 1.4684                -0.2329
 Delta2 Fr= 1--     -0.1744                -0.2061                -0.2250
 Raman1 Fr= 1--     190.496                132.513                129.175
 ROA1   Fr= 1--     320.011                134.369                -29.555
 CID1   Fr= 1--       1.680                  1.014                 -0.229
 Raman2 Fr= 1--      17.449                 18.061                 19.209
 ROA2   Fr= 1--      82.794                 36.889                 -3.789
 CID2   Fr= 1--       4.745                  2.043                 -0.197
 Raman3 Fr= 1--      34.898                 36.121                 38.418
 ROA3   Fr= 1--     320.011                134.369                -29.555
 CID3   Fr= 1--       9.170                  3.720                 -0.769
 RC180  Fr= 1--      -0.634                 -0.455                 -0.405
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.04   0.02    -0.09   0.01  -0.04     0.03  -0.00   0.01
     2   6     0.03  -0.00   0.01    -0.03   0.00  -0.02     0.27   0.04   0.10
     3   6     0.01  -0.03   0.02     0.08  -0.01   0.04    -0.06  -0.06   0.01
     4   6    -0.10  -0.02  -0.03     0.20   0.04   0.06     0.05   0.03   0.01
     5   6     0.02   0.04  -0.02     0.06  -0.01   0.03    -0.07   0.04  -0.05
     6   6    -0.00   0.05  -0.03    -0.08  -0.03  -0.01     0.04  -0.01   0.02
     7   6    -0.02   0.00  -0.00     0.03  -0.00   0.01    -0.11  -0.02  -0.03
     8   6     0.01  -0.01  -0.02    -0.01   0.02   0.02     0.04  -0.03  -0.09
     9   6     0.00   0.00   0.01    -0.00  -0.01  -0.01    -0.02   0.00   0.03
    10   6    -0.00   0.01   0.01     0.00  -0.01  -0.01     0.00   0.02   0.03
    11   6     0.04   0.02   0.02    -0.07  -0.03  -0.03     0.01  -0.01  -0.00
    12   6     0.00  -0.01  -0.01    -0.01   0.02   0.02    -0.01   0.01  -0.00
    13   8    -0.00  -0.01   0.01     0.01   0.02  -0.01     0.00   0.01  -0.00
    14   8     0.00   0.02   0.00    -0.00  -0.04  -0.00    -0.00  -0.01   0.00
    15   1    -0.32  -0.22   0.00    -0.49  -0.20  -0.07    -0.28  -0.18  -0.00
    16   1     0.36  -0.20   0.27     0.23  -0.07   0.14    -0.29   0.04  -0.14
    17   1     0.49   0.32   0.02     0.07  -0.01   0.03    -0.36  -0.13  -0.07
    18   1    -0.27   0.18  -0.21    -0.40   0.12  -0.22    -0.23   0.13  -0.17
    19   1    -0.04   0.01  -0.01     0.07  -0.01  -0.02    -0.28   0.03  -0.06
    20   1    -0.04  -0.01  -0.01     0.03  -0.00   0.01    -0.44   0.05   0.03
    21   1     0.01  -0.02  -0.02    -0.00   0.04   0.02    -0.00   0.07  -0.05
    22   1    -0.00  -0.03  -0.01     0.00   0.03   0.01     0.03  -0.09  -0.02
    23   1     0.01   0.03  -0.02    -0.01  -0.04   0.02     0.04   0.01  -0.08
    24   1     0.00   0.04  -0.01     0.01  -0.03   0.01     0.01   0.14  -0.03
    25   1     0.01  -0.03   0.00    -0.01   0.04  -0.00     0.01  -0.09   0.04
    26   1     0.01   0.01  -0.04    -0.01  -0.01   0.04     0.02   0.02  -0.05
    27   1    -0.01  -0.03   0.03     0.01   0.03  -0.03    -0.02  -0.08   0.07
    28   1     0.23   0.08   0.06    -0.44  -0.17  -0.12    -0.16  -0.06  -0.03
    29   6    -0.01  -0.02   0.00     0.02   0.04  -0.01    -0.01   0.01  -0.00
    30   1     0.01  -0.08  -0.01    -0.02   0.18   0.02    -0.01   0.09   0.02
    31   1     0.03  -0.03  -0.03    -0.05   0.06   0.06     0.01   0.03   0.02
    32   1     0.00   0.01  -0.03    -0.01  -0.01   0.05    -0.00  -0.05  -0.01
    33   1     0.01   0.05   0.03    -0.03  -0.08  -0.06     0.01  -0.03   0.01
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1244.5435              1280.4830              1309.4038
 Red. masses --      1.3872                 1.7449                 1.5706
 Frc consts  --      1.2659                 1.6856                 1.5865
 IR Inten    --      0.7248                 2.6298                 1.0400
 RamAct Fr= 1--      5.5990                 4.9286                 8.7689
  Dep-P Fr= 1--      0.7491                 0.5948                 0.1688
  Dep-U Fr= 1--      0.8565                 0.7459                 0.2889
 Alpha2 Fr= 1--      0.0001                 0.0142                 0.1292
 Beta2  Fr= 1--      0.7993                 0.6128                 0.4222
 AlphaG Fr= 1--      0.0024                 0.0087                 0.0501
 Gamma2 Fr= 1--     -1.0480                 2.1766                 1.2028
 Delta2 Fr= 1--     -0.4809                 1.2603                 1.9818
 Raman1 Fr= 1--      22.396                 19.715                 35.076
 ROA1   Fr= 1--    -115.997                249.282                178.887
 CID1   Fr= 1--      -5.179                 12.645                  5.100
 Raman2 Fr= 1--       9.592                  7.353                  5.066
 ROA2   Fr= 1--     -21.305                 42.155                 13.013
 CID2   Fr= 1--      -2.221                  5.733                  2.569
 Raman3 Fr= 1--      19.183                 14.706                 10.132
 ROA3   Fr= 1--    -115.997                249.282                178.887
 CID3   Fr= 1--      -6.047                 16.951                 17.655
 RC180  Fr= 1--       0.713                  0.492                 -0.422
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.04   0.01     0.01   0.03  -0.01     0.03   0.02  -0.00
     2   6    -0.02   0.07  -0.05     0.01  -0.02   0.02    -0.01  -0.01   0.03
     3   6     0.02  -0.01   0.01    -0.01   0.03  -0.02    -0.01   0.02  -0.02
     4   6    -0.02   0.03  -0.03     0.07  -0.09   0.07     0.01  -0.06   0.05
     5   6    -0.02  -0.03   0.01     0.03   0.04  -0.01     0.02   0.02  -0.01
     6   6     0.02  -0.03   0.02    -0.04   0.00  -0.02    -0.02   0.01  -0.02
     7   6     0.01  -0.04   0.03     0.00  -0.00  -0.00     0.06  -0.02  -0.03
     8   6     0.01   0.09  -0.04    -0.00   0.01  -0.01    -0.06   0.02   0.03
     9   6    -0.05  -0.03   0.00    -0.01  -0.00  -0.00     0.03  -0.01  -0.01
    10   6     0.05  -0.03   0.02     0.01  -0.00   0.00     0.03  -0.01  -0.00
    11   6     0.03  -0.01   0.01    -0.16   0.01  -0.01    -0.03  -0.02  -0.08
    12   6    -0.01  -0.00  -0.00     0.02   0.04   0.06     0.05  -0.07  -0.07
    13   8     0.00   0.00   0.00    -0.02  -0.05   0.01     0.00   0.05  -0.00
    14   8    -0.00  -0.00   0.00     0.02   0.03  -0.03    -0.03  -0.02   0.04
    15   1    -0.06  -0.06   0.01    -0.21  -0.09  -0.03    -0.11  -0.05  -0.00
    16   1     0.03  -0.01   0.02    -0.21   0.13  -0.17    -0.10   0.06  -0.07
    17   1     0.06   0.02   0.02     0.10   0.07  -0.02     0.09   0.07   0.01
    18   1     0.15  -0.10   0.11     0.04  -0.04   0.04     0.06  -0.02   0.05
    19   1     0.52  -0.14  -0.18     0.11  -0.03  -0.02    -0.17   0.03   0.07
    20   1    -0.43   0.17   0.16    -0.17   0.03   0.03    -0.29   0.08   0.06
    21   1     0.05   0.42  -0.23     0.01   0.10  -0.06     0.09  -0.08  -0.24
    22   1     0.05  -0.08  -0.02     0.01  -0.00  -0.00    -0.07   0.03   0.01
    23   1     0.02  -0.18  -0.07     0.00  -0.03  -0.01    -0.02   0.06   0.05
    24   1     0.02   0.09   0.01     0.01   0.02   0.00    -0.02  -0.05  -0.02
    25   1    -0.05  -0.02   0.18    -0.01  -0.01   0.03    -0.03  -0.00   0.10
    26   1    -0.07  -0.01   0.08    -0.01   0.00   0.01    -0.08   0.01   0.01
    27   1    -0.00   0.05  -0.10    -0.00   0.00  -0.02    -0.02   0.02  -0.08
    28   1    -0.01  -0.01   0.02     0.62   0.12  -0.16     0.03   0.28   0.46
    29   6    -0.01   0.00  -0.00     0.05  -0.00   0.01     0.02  -0.03   0.05
    30   1    -0.00   0.02   0.01     0.05  -0.46  -0.09    -0.08   0.53   0.10
    31   1     0.02   0.02   0.01    -0.14  -0.06  -0.03    -0.03  -0.11  -0.08
    32   1    -0.00  -0.03  -0.02     0.00   0.09   0.11     0.03   0.15   0.01
    33   1     0.02   0.00   0.02    -0.10  -0.03  -0.12    -0.05   0.13   0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1310.0898              1349.6116              1366.2049
 Red. masses --      1.5531                 2.2396                 1.4467
 Frc consts  --      1.5705                 2.4034                 1.5909
 IR Inten    --     12.3148                 0.1856                 0.1539
 RamAct Fr= 1--     23.0654                 1.9666                 1.1885
  Dep-P Fr= 1--      0.3620                 0.6470                 0.6717
  Dep-U Fr= 1--      0.5316                 0.7857                 0.8036
 Alpha2 Fr= 1--      0.1947                 0.0036                 0.0016
 Beta2  Fr= 1--      2.0435                 0.2575                 0.1592
 AlphaG Fr= 1--      0.1045                 0.0021                -0.0038
 Gamma2 Fr= 1--     -4.6001                -1.3878                 2.5167
 Delta2 Fr= 1--     -2.7331                -1.9452                 1.8008
 Raman1 Fr= 1--      92.262                  7.866                  4.754
 ROA1   Fr= 1--    -529.070               -195.476                299.229
 CID1   Fr= 1--      -5.734                -24.849                 62.944
 Raman2 Fr= 1--      24.522                  3.090                  1.910
 ROA2   Fr= 1--     -88.538                -17.745                 45.995
 CID2   Fr= 1--      -3.611                 -5.742                 24.078
 Raman3 Fr= 1--      49.045                  6.181                  3.820
 ROA3   Fr= 1--    -529.070               -195.476                299.229
 CID3   Fr= 1--     -10.787                -31.628                 78.324
 RC180  Fr= 1--       0.063                  0.571                  0.607
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02   0.00    -0.09  -0.05  -0.00    -0.08  -0.03  -0.01
     2   6     0.02  -0.03  -0.02     0.02   0.16  -0.09    -0.00  -0.02   0.01
     3   6    -0.01   0.01  -0.01     0.11  -0.05   0.07     0.02  -0.00   0.01
     4   6     0.01  -0.04   0.03     0.03   0.07  -0.03     0.03   0.10  -0.04
     5   6     0.01   0.01  -0.00    -0.12  -0.07  -0.01    -0.01   0.00  -0.01
     6   6    -0.02   0.01  -0.01     0.07  -0.04   0.05     0.06  -0.03   0.04
     7   6    -0.10   0.04   0.05    -0.00  -0.04   0.02     0.00   0.02  -0.01
     8   6     0.11  -0.04  -0.05     0.01   0.06  -0.03    -0.00  -0.04   0.02
     9   6    -0.06   0.01   0.01     0.03  -0.00   0.02    -0.01   0.01  -0.01
    10   6    -0.05   0.01   0.01    -0.03  -0.01  -0.01     0.01   0.01   0.00
    11   6    -0.02  -0.01  -0.04    -0.04  -0.03  -0.03    -0.05  -0.04  -0.05
    12   6     0.03  -0.03  -0.04     0.01   0.00   0.00    -0.00   0.01   0.02
    13   8     0.00   0.03  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    14   8    -0.02  -0.01   0.02    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    15   1    -0.05  -0.03  -0.03    -0.14  -0.08  -0.01     0.36   0.21   0.01
    16   1    -0.06   0.04  -0.05    -0.28   0.14  -0.20     0.22  -0.09   0.15
    17   1     0.04   0.03  -0.00     0.28   0.17   0.03    -0.29  -0.15  -0.02
    18   1     0.05  -0.04   0.01     0.11  -0.06   0.08    -0.35   0.17  -0.23
    19   1     0.45  -0.08  -0.13    -0.24   0.04  -0.05     0.01   0.01   0.03
    20   1     0.37  -0.14  -0.08     0.25   0.02   0.02    -0.01  -0.03  -0.03
    21   1    -0.16   0.26   0.38    -0.05  -0.46   0.25     0.03   0.23  -0.12
    22   1     0.13  -0.04  -0.02    -0.05  -0.08  -0.02     0.03   0.04   0.01
    23   1     0.03  -0.14  -0.09     0.03   0.06  -0.01    -0.02  -0.02   0.01
    24   1     0.04   0.12   0.05    -0.05  -0.05  -0.06     0.03   0.02   0.04
    25   1     0.05  -0.01  -0.15    -0.01   0.04  -0.04     0.01  -0.02   0.01
    26   1     0.13  -0.02  -0.03     0.04  -0.03   0.08    -0.02   0.02  -0.05
    27   1     0.02  -0.03   0.12     0.05   0.01   0.08    -0.03  -0.02  -0.04
    28   1     0.02   0.15   0.25     0.26   0.17   0.19     0.39   0.25   0.29
    29   6     0.01  -0.02   0.03     0.01  -0.00   0.02     0.02  -0.02   0.02
    30   1    -0.04   0.29   0.05    -0.01   0.02   0.00    -0.00  -0.03  -0.01
    31   1    -0.02  -0.06  -0.05    -0.05  -0.05  -0.04    -0.04  -0.05  -0.02
    32   1     0.01   0.08   0.01     0.01   0.02   0.01     0.01   0.08   0.02
    33   1    -0.03   0.07  -0.00    -0.03   0.03  -0.01    -0.05   0.08  -0.02
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1375.3121              1388.0537              1392.6155
 Red. masses --      1.3987                 1.3537                 1.9977
 Frc consts  --      1.5588                 1.5366                 2.2826
 IR Inten    --      0.5105                 9.5340                45.3389
 RamAct Fr= 1--      1.6771                10.8853                 4.4691
  Dep-P Fr= 1--      0.7272                 0.3897                 0.7489
  Dep-U Fr= 1--      0.8420                 0.5609                 0.8564
 Alpha2 Fr= 1--      0.0007                 0.0836                 0.0001
 Beta2  Fr= 1--      0.2354                 1.0175                 0.6379
 AlphaG Fr= 1--     -0.0045                 0.0253                -0.0043
 Gamma2 Fr= 1--     -0.2932                -0.2658                 1.6281
 Delta2 Fr= 1--     -0.2505                -0.3155                -1.1158
 Raman1 Fr= 1--       6.708                 43.541                 17.876
 ROA1   Fr= 1--     -36.166                -35.614                120.595
 CID1   Fr= 1--      -5.391                 -0.818                  6.746
 Raman2 Fr= 1--       2.824                 12.210                  7.655
 ROA2   Fr= 1--      -5.034                 -3.856                 48.002
 CID2   Fr= 1--      -1.782                 -0.316                  6.271
 Raman3 Fr= 1--       5.649                 24.420                 15.310
 ROA3   Fr= 1--     -36.166                -35.614                120.595
 CID3   Fr= 1--      -6.403                 -1.458                  7.877
 RC180  Fr= 1--       0.684                  0.122                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00  -0.00    -0.02  -0.01  -0.00     0.03   0.01   0.00
     2   6     0.01   0.05  -0.03    -0.04   0.00  -0.01    -0.00   0.00   0.00
     3   6     0.04  -0.02   0.03     0.01   0.01  -0.00    -0.01  -0.00  -0.00
     4   6    -0.00  -0.01   0.00     0.00   0.00  -0.00    -0.01  -0.01   0.02
     5   6    -0.05  -0.03  -0.00     0.01  -0.01   0.01     0.02   0.00   0.00
     6   6     0.01   0.00   0.00    -0.01   0.01  -0.01    -0.03   0.01  -0.02
     7   6     0.00   0.01  -0.01     0.12  -0.01   0.01     0.01  -0.00   0.00
     8   6    -0.02  -0.13   0.07     0.03  -0.05  -0.09     0.00  -0.00  -0.01
     9   6    -0.03  -0.00  -0.04    -0.03  -0.02   0.01    -0.00  -0.01  -0.00
    10   6     0.03   0.02   0.03    -0.02   0.02  -0.02    -0.00   0.00   0.00
    11   6     0.01   0.01   0.01    -0.01   0.00   0.01     0.09  -0.04  -0.14
    12   6     0.00  -0.00  -0.00     0.01  -0.01  -0.01    -0.12   0.13   0.13
    13   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.01  -0.03  -0.01
    14   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.03  -0.01  -0.05
    15   1    -0.13  -0.07  -0.01     0.05   0.03   0.01    -0.11  -0.07  -0.00
    16   1    -0.17   0.08  -0.12     0.05  -0.01   0.02    -0.02   0.00   0.00
    17   1     0.20   0.12   0.02     0.05   0.01   0.01     0.01   0.01   0.03
    18   1     0.12  -0.05   0.08     0.04  -0.02   0.04     0.08  -0.05   0.06
    19   1    -0.27   0.07   0.08    -0.35   0.09   0.22    -0.03   0.01   0.01
    20   1     0.28  -0.08  -0.07    -0.33   0.20   0.16    -0.01   0.02   0.01
    21   1     0.07   0.58  -0.32    -0.34   0.32   0.52    -0.02   0.02   0.04
    22   1     0.07   0.19   0.06     0.07   0.09   0.06     0.00   0.02   0.01
    23   1    -0.08   0.03   0.05     0.00   0.08  -0.08    -0.01   0.03  -0.00
    24   1     0.13   0.12   0.09     0.04   0.16  -0.03     0.01   0.03  -0.01
    25   1     0.08  -0.04  -0.05    -0.02  -0.11   0.02     0.00  -0.00  -0.01
    26   1    -0.04   0.06  -0.20     0.06  -0.02   0.12     0.01  -0.00  -0.00
    27   1    -0.11   0.01  -0.16     0.01  -0.11   0.12    -0.00   0.00  -0.00
    28   1    -0.07  -0.04  -0.05     0.01  -0.01  -0.03    -0.40   0.25   0.60
    29   6    -0.00   0.01  -0.00     0.00  -0.00  -0.00    -0.01  -0.01   0.06
    30   1     0.00   0.01   0.00    -0.00   0.02   0.00     0.06  -0.43  -0.09
    31   1     0.00   0.00  -0.01    -0.01   0.01   0.01     0.12  -0.10  -0.16
    32   1    -0.00  -0.03  -0.01    -0.00  -0.00   0.01     0.08   0.08  -0.16
    33   1     0.01  -0.03   0.00     0.00   0.00  -0.00    -0.07  -0.00   0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1405.0844              1415.9062              1424.7616
 Red. masses --      1.2792                 1.2215                 1.2489
 Frc consts  --      1.4880                 1.4428                 1.4937
 IR Inten    --      8.5611                11.1142                 7.6617
 RamAct Fr= 1--      0.9537                 0.9422                 4.2149
  Dep-P Fr= 1--      0.3277                 0.5432                 0.4197
  Dep-U Fr= 1--      0.4937                 0.7040                 0.5912
 Alpha2 Fr= 1--      0.0090                 0.0037                 0.0291
 Beta2  Fr= 1--      0.0785                 0.1105                 0.4153
 AlphaG Fr= 1--     -0.0027                 0.0081                -0.0097
 Gamma2 Fr= 1--     -0.0170                -0.1402                -0.3675
 Delta2 Fr= 1--     -0.1345                 0.0511                -0.0182
 Raman1 Fr= 1--       3.815                  3.769                 16.860
 ROA1   Fr= 1--      -5.936                -11.819                -35.864
 CID1   Fr= 1--      -1.556                 -3.136                 -2.127
 Raman2 Fr= 1--       0.942                  1.327                  4.984
 ROA2   Fr= 1--       0.667                 -3.773                 -8.674
 CID2   Fr= 1--       0.709                 -2.844                 -1.740
 Raman3 Fr= 1--       1.883                  2.653                  9.968
 ROA3   Fr= 1--      -5.936                -11.819                -35.864
 CID3   Fr= 1--      -3.152                 -4.455                 -3.598
 RC180  Fr= 1--      -0.013                  0.408                  0.182
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.01   0.00   0.00     0.00   0.00   0.00
     2   6    -0.00  -0.00   0.00     0.00   0.01  -0.01     0.01  -0.00  -0.00
     3   6    -0.01   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     4   6     0.00   0.01  -0.00     0.01   0.00   0.00    -0.00  -0.00  -0.00
     5   6     0.01   0.00   0.00     0.01   0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00    -0.01  -0.00  -0.00     0.00  -0.00   0.00
     7   6    -0.00  -0.01   0.00    -0.00  -0.00   0.00    -0.04   0.00  -0.00
     8   6     0.01   0.05  -0.03    -0.00  -0.00   0.00    -0.00   0.01   0.03
     9   6    -0.01  -0.10   0.00     0.00   0.00  -0.00    -0.01  -0.10  -0.02
    10   6    -0.01  -0.06   0.09     0.00   0.00  -0.00     0.01   0.04  -0.09
    11   6    -0.00  -0.00   0.00     0.01  -0.00  -0.01    -0.00   0.00   0.00
    12   6     0.00  -0.00  -0.00    -0.01   0.02   0.01     0.00  -0.00  -0.00
    13   8    -0.00   0.00   0.00    -0.00  -0.01   0.00    -0.00   0.00   0.00
    14   8    -0.00   0.00   0.00     0.01  -0.00  -0.01    -0.00   0.00   0.00
    15   1     0.02   0.01   0.00    -0.04  -0.02  -0.00    -0.01  -0.01  -0.00
    16   1     0.03  -0.02   0.02    -0.03   0.00  -0.03    -0.01   0.00  -0.01
    17   1    -0.04  -0.03  -0.00    -0.01  -0.01   0.00    -0.01  -0.00  -0.00
    18   1    -0.02   0.00  -0.01     0.02  -0.02   0.02    -0.01   0.00  -0.01
    19   1     0.06  -0.02  -0.03    -0.02   0.00  -0.00     0.13  -0.04  -0.01
    20   1    -0.07   0.03   0.03     0.02  -0.00  -0.00     0.13  -0.02  -0.03
    21   1    -0.02  -0.14   0.08     0.00   0.01  -0.00     0.08  -0.07  -0.11
    22   1     0.03   0.30   0.20    -0.00  -0.01  -0.01     0.03   0.32   0.20
    23   1    -0.07   0.40  -0.06     0.00  -0.01   0.00    -0.12   0.39   0.01
    24   1     0.15   0.35  -0.09    -0.00  -0.01   0.00     0.20   0.34  -0.02
    25   1     0.16   0.25  -0.30    -0.00  -0.01   0.00    -0.19  -0.17   0.31
    26   1     0.01   0.00  -0.38     0.00   0.00   0.01    -0.00  -0.01   0.37
    27   1    -0.08   0.29  -0.26    -0.00  -0.01   0.00     0.14  -0.23   0.28
    28   1     0.03   0.00  -0.00    -0.04   0.01   0.04     0.00  -0.00  -0.00
    29   6     0.00  -0.00  -0.00    -0.01  -0.10  -0.08    -0.00  -0.00  -0.00
    30   1    -0.00   0.01   0.00     0.01  -0.05  -0.01    -0.00   0.00   0.00
    31   1    -0.00   0.01   0.02     0.06   0.25   0.52     0.00   0.00   0.00
    32   1    -0.01   0.01   0.01    -0.16   0.42   0.29    -0.00   0.00   0.00
    33   1     0.00   0.02   0.00     0.19   0.52   0.19     0.00   0.00   0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1460.7849              1489.2183              1489.5912
 Red. masses --      2.4743                 1.0410                 1.0974
 Frc consts  --      3.1109                 1.3602                 1.4347
 IR Inten    --      9.2358                 2.7282                 3.3831
 RamAct Fr= 1--      0.2805                 8.1812                14.3655
  Dep-P Fr= 1--      0.6036                 0.7428                 0.6919
  Dep-U Fr= 1--      0.7528                 0.8524                 0.8179
 Alpha2 Fr= 1--      0.0008                 0.0010                 0.0146
 Beta2  Fr= 1--      0.0352                 1.1623                 1.9583
 AlphaG Fr= 1--     -0.0237                 0.0082                 0.0023
 Gamma2 Fr= 1--      0.1200                -0.3969                 0.9713
 Delta2 Fr= 1--      0.6441                -0.0194                -0.1609
 Raman1 Fr= 1--       1.122                 32.725                 57.462
 ROA1   Fr= 1--      32.131                -38.718                 88.098
 CID1   Fr= 1--      28.636                 -1.183                  1.533
 Raman2 Fr= 1--       0.422                 13.948                 23.499
 ROA2   Fr= 1--      -2.273                 -9.370                 24.599
 CID2   Fr= 1--      -5.381                 -0.672                  1.047
 Raman3 Fr= 1--       0.845                 27.896                 46.999
 ROA3   Fr= 1--      32.131                -38.718                 88.098
 CID3   Fr= 1--      38.038                 -1.388                  1.874
 RC180  Fr= 1--       0.506                  0.705                  0.636
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.12  -0.02   0.06     0.00  -0.00   0.00     0.00   0.00   0.00
     2   6     0.02   0.13  -0.07    -0.00   0.00  -0.00     0.01  -0.00  -0.00
     3   6    -0.13  -0.04  -0.03    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.01   0.13  -0.07    -0.00  -0.00   0.00     0.00   0.00   0.00
     5   6     0.13  -0.01   0.06     0.00   0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.13  -0.04  -0.03    -0.00  -0.00   0.00     0.00  -0.00   0.00
     7   6    -0.00  -0.03   0.02     0.00   0.00   0.00    -0.05  -0.03  -0.06
     8   6    -0.00  -0.01   0.01     0.00   0.01  -0.00     0.01   0.00   0.01
     9   6     0.00   0.01  -0.01    -0.04   0.00  -0.00     0.01   0.00   0.01
    10   6     0.00   0.01  -0.00     0.04  -0.00   0.00     0.01   0.01   0.01
    11   6    -0.04  -0.04   0.02    -0.00   0.00   0.00    -0.00  -0.00   0.00
    12   6     0.01  -0.01  -0.01     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    13   8    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    14   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    15   1    -0.27  -0.26   0.04    -0.01  -0.00   0.00    -0.02  -0.01   0.00
    16   1     0.23  -0.23   0.23     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    17   1    -0.30  -0.28   0.03    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   1     0.21  -0.22   0.21     0.01  -0.01   0.00    -0.02   0.01  -0.01
    19   1    -0.21   0.03  -0.03    -0.01   0.01  -0.04     0.17  -0.16   0.59
    20   1     0.22  -0.01   0.01    -0.02  -0.03  -0.01     0.25   0.54   0.21
    21   1     0.00   0.02  -0.01    -0.01  -0.06   0.04     0.03  -0.02  -0.02
    22   1    -0.03  -0.03  -0.02     0.48  -0.11  -0.05    -0.07   0.07   0.04
    23   1    -0.03  -0.01   0.07     0.01   0.27  -0.17     0.08  -0.10  -0.08
    24   1     0.03   0.00   0.04     0.08  -0.23   0.30    -0.11   0.01  -0.15
    25   1     0.02  -0.07  -0.02     0.05   0.29  -0.12     0.09  -0.00  -0.14
    26   1     0.02  -0.00   0.04    -0.48   0.07   0.06    -0.14   0.02   0.09
    27   1    -0.04  -0.02  -0.03    -0.14  -0.35   0.03    -0.14  -0.16  -0.08
    28   1     0.34   0.08   0.06    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    29   6     0.01   0.01   0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    30   1    -0.01   0.04   0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    31   1    -0.08  -0.03  -0.03     0.01   0.00  -0.00    -0.00   0.00   0.01
    32   1     0.01  -0.07   0.01    -0.00   0.00   0.00     0.00  -0.00  -0.01
    33   1    -0.03  -0.00  -0.02     0.00  -0.01   0.00    -0.01   0.01  -0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1492.2174              1497.4136              1498.9480
 Red. masses --      1.0466                 1.0567                 1.0549
 Frc consts  --      1.3731                 1.3960                 1.3964
 IR Inten    --      4.6715                 0.0938                 8.8653
 RamAct Fr= 1--      4.3380                 1.9937                 4.0429
  Dep-P Fr= 1--      0.5832                 0.4288                 0.6591
  Dep-U Fr= 1--      0.7367                 0.6003                 0.7946
 Alpha2 Fr= 1--      0.0135                 0.0133                 0.0066
 Beta2  Fr= 1--      0.5326                 0.1995                 0.5354
 AlphaG Fr= 1--      0.0009                 0.0402                 0.0581
 Gamma2 Fr= 1--     -0.7542                 0.8454                 1.0753
 Delta2 Fr= 1--     -1.2003                -0.1404                 1.4309
 Raman1 Fr= 1--      17.352                  7.975                 16.171
 ROA1   Fr= 1--    -110.818                 76.665                149.020
 CID1   Fr= 1--      -6.387                  9.614                  9.215
 Raman2 Fr= 1--       6.392                  2.393                  6.425
 ROA2   Fr= 1--      -8.499                 21.413                 14.361
 CID2   Fr= 1--      -1.330                  8.946                  2.235
 Raman3 Fr= 1--      12.783                  4.787                 12.849
 ROA3   Fr= 1--    -110.818                 76.665                149.020
 CID3   Fr= 1--      -8.669                 16.016                 11.598
 RC180  Fr= 1--       0.473                  0.201                  0.589
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.01  -0.00  -0.00    -0.00  -0.00   0.00
     2   6    -0.01  -0.00  -0.00    -0.00  -0.01   0.00     0.00   0.01  -0.01
     3   6     0.01  -0.00   0.01     0.01   0.00   0.00    -0.00  -0.00   0.00
     4   6     0.00   0.00  -0.00    -0.00  -0.01   0.00     0.01   0.00  -0.00
     5   6     0.01   0.01   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00     0.01  -0.00   0.00    -0.00  -0.00   0.00
     7   6     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     8   6     0.00  -0.00  -0.00     0.00   0.03  -0.02    -0.00  -0.00   0.00
     9   6     0.00  -0.00   0.00     0.01  -0.00  -0.04    -0.00   0.00   0.00
    10   6    -0.00   0.00   0.00    -0.00   0.03   0.02     0.00  -0.00  -0.00
    11   6    -0.02   0.01  -0.01    -0.00   0.00   0.00    -0.03  -0.01   0.02
    12   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.01  -0.01  -0.01
    13   8     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.01  -0.00
    14   8     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    15   1    -0.02  -0.01  -0.00     0.02   0.01  -0.00    -0.01  -0.01   0.00
    16   1    -0.01   0.00  -0.01    -0.00   0.01  -0.01    -0.00  -0.01  -0.01
    17   1    -0.03  -0.02  -0.00     0.01   0.01  -0.00    -0.01  -0.01  -0.00
    18   1    -0.02   0.00  -0.01    -0.02   0.01  -0.01    -0.00  -0.01   0.00
    19   1     0.00  -0.00   0.01     0.05  -0.01  -0.02    -0.01   0.00   0.00
    20   1     0.00   0.01   0.00    -0.05   0.01   0.01     0.01  -0.00  -0.00
    21   1    -0.00   0.00   0.00    -0.01  -0.07   0.04     0.00   0.01  -0.00
    22   1    -0.01   0.00   0.00    -0.13  -0.21  -0.13     0.01   0.02   0.01
    23   1     0.00  -0.01   0.00    -0.24   0.08   0.41     0.03  -0.01  -0.04
    24   1    -0.00   0.01  -0.01     0.28   0.09   0.28    -0.03  -0.01  -0.03
    25   1     0.00  -0.00  -0.00     0.21  -0.34  -0.27    -0.02   0.03   0.03
    26   1    -0.00   0.00   0.00     0.10  -0.03   0.26    -0.01   0.00  -0.03
    27   1    -0.00  -0.00  -0.00    -0.29  -0.14  -0.26     0.03   0.02   0.03
    28   1     0.04   0.05   0.03    -0.01  -0.01  -0.01     0.06  -0.04  -0.06
    29   6    -0.04   0.02  -0.03    -0.00  -0.00   0.00    -0.03  -0.03   0.03
    30   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.02   0.00
    31   1     0.36  -0.09  -0.36     0.06   0.02   0.01     0.59   0.17   0.12
    32   1    -0.20   0.16   0.41     0.01   0.05  -0.04     0.13   0.51  -0.39
    33   1     0.47  -0.38   0.35    -0.02  -0.03  -0.02    -0.21  -0.28  -0.18
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1508.6307              1512.3877              1551.9464
 Red. masses --      1.0508                 1.0555                 2.4288
 Frc consts  --      1.4091                 1.4224                 3.4467
 IR Inten    --     11.7303                10.5501                22.5853
 RamAct Fr= 1--      1.4240                 4.1209                 0.8591
  Dep-P Fr= 1--      0.4157                 0.6263                 0.7083
  Dep-U Fr= 1--      0.5873                 0.7702                 0.8292
 Alpha2 Fr= 1--      0.0100                 0.0093                 0.0006
 Beta2  Fr= 1--      0.1394                 0.5290                 0.1187
 AlphaG Fr= 1--     -0.0111                -0.0088                 0.0036
 Gamma2 Fr= 1--     -0.3337                -0.6124                -0.6211
 Delta2 Fr= 1--      0.1578                -0.2383                -0.2115
 Raman1 Fr= 1--       5.696                 16.484                  3.436
 ROA1   Fr= 1--     -26.986                -66.415                -66.396
 CID1   Fr= 1--      -4.738                 -4.029                -19.322
 Raman2 Fr= 1--       1.673                  6.348                  1.425
 ROA2   Fr= 1--      -9.271                -12.791                -13.214
 CID2   Fr= 1--      -5.543                 -2.015                 -9.275
 Raman3 Fr= 1--       3.345                 12.696                  2.849
 ROA3   Fr= 1--     -26.986                -66.415                -66.396
 CID3   Fr= 1--      -8.067                 -5.231                -23.301
 RC180  Fr= 1--       0.175                  0.540                  0.658
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.10  -0.10   0.02
     2   6     0.01  -0.00  -0.00     0.00  -0.00  -0.00     0.15   0.01   0.05
     3   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.08   0.08  -0.08
     4   6     0.00   0.00   0.00     0.00   0.00   0.00     0.15   0.01   0.05
     5   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.10  -0.10   0.01
     6   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.08   0.08  -0.08
     7   6    -0.01  -0.01  -0.03    -0.01  -0.00  -0.00    -0.03  -0.00  -0.01
     8   6    -0.02  -0.00  -0.01     0.03  -0.02  -0.03    -0.00   0.00   0.01
     9   6    -0.02   0.01  -0.02     0.02   0.01  -0.02     0.00  -0.00   0.00
    10   6    -0.03  -0.02  -0.00     0.02  -0.03  -0.00     0.00   0.00  -0.00
    11   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.03  -0.00  -0.01
    12   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.01   0.01
    13   8     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    14   8     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    15   1    -0.00   0.00   0.00     0.02   0.00  -0.01     0.42   0.18   0.06
    16   1     0.01  -0.00   0.01     0.01  -0.00   0.00     0.40  -0.14   0.25
    17   1     0.01   0.00   0.00     0.01   0.00   0.00     0.40   0.18   0.06
    18   1    -0.00   0.00   0.00     0.01  -0.01  -0.00     0.37  -0.13   0.21
    19   1     0.04  -0.06   0.26     0.01  -0.01   0.08    -0.03   0.00  -0.03
    20   1     0.08   0.24   0.10     0.02   0.07   0.03    -0.03  -0.02  -0.02
    21   1    -0.01  -0.03  -0.05    -0.03   0.04   0.06     0.02  -0.02  -0.04
    22   1     0.32  -0.21  -0.12    -0.36  -0.14  -0.10    -0.01   0.02   0.01
    23   1    -0.10   0.24   0.06    -0.20  -0.11   0.43     0.01  -0.01  -0.02
    24   1     0.18  -0.17   0.38     0.19   0.21   0.08    -0.02  -0.00  -0.02
    25   1    -0.13  -0.06   0.22    -0.13   0.45   0.13     0.01  -0.01  -0.01
    26   1     0.33  -0.05  -0.20    -0.34   0.06  -0.21    -0.01   0.00   0.02
    27   1     0.24   0.36   0.09     0.16  -0.07   0.24    -0.02  -0.01  -0.02
    28   1    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.04  -0.00  -0.00
    29   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    30   1     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.01  -0.00
    31   1     0.00  -0.00  -0.00     0.00   0.00   0.00     0.04  -0.00  -0.02
    32   1    -0.00   0.00   0.01     0.00   0.00  -0.00    -0.02   0.04   0.04
    33   1     0.01  -0.00   0.00    -0.00   0.00  -0.00     0.05  -0.03   0.03
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1617.4647              1658.2126              1805.7505
 Red. masses --      5.9912                 5.7772                 9.5433
 Frc consts  --      9.2349                 9.3594                18.3343
 IR Inten    --      0.1330                 1.1490               270.6210
 RamAct Fr= 1--      2.1181               120.7597                16.0203
  Dep-P Fr= 1--      0.6723                 0.4900                 0.1926
  Dep-U Fr= 1--      0.8040                 0.6577                 0.3230
 Alpha2 Fr= 1--      0.0029                 0.6244                 0.2219
 Beta2  Fr= 1--      0.2838                13.2375                 0.8624
 AlphaG Fr= 1--      0.0329                 0.0695                -0.3896
 Gamma2 Fr= 1--      0.3043                 2.8017                -1.0447
 Delta2 Fr= 1--      0.0112                 0.5417                 1.0154
 Raman1 Fr= 1--       8.473                483.039                 64.081
 ROA1   Fr= 1--      29.570                286.301                -67.801
 CID1   Fr= 1--       3.490                  0.593                 -1.058
 Raman2 Fr= 1--       3.406                158.850                 10.348
 ROA2   Fr= 1--       7.214                 62.909                -33.197
 CID2   Fr= 1--       2.118                  0.396                 -3.208
 Raman3 Fr= 1--       6.812                317.701                 20.697
 ROA3   Fr= 1--      29.570                286.301                -67.801
 CID3   Fr= 1--       4.341                  0.901                 -3.276
 RC180  Fr= 1--       0.608                  0.315                 -0.354
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.11   0.18  -0.07     0.28   0.09   0.06    -0.01  -0.01   0.00
     2   6    -0.03  -0.30   0.16    -0.20  -0.01  -0.07     0.00   0.00  -0.00
     3   6     0.07  -0.17   0.13    -0.26   0.05  -0.13     0.01   0.00   0.00
     4   6     0.04   0.31  -0.16     0.18   0.02   0.06    -0.02  -0.01  -0.01
     5   6    -0.11  -0.19   0.07    -0.27  -0.09  -0.06     0.01   0.01   0.00
     6   6    -0.08   0.18  -0.13     0.26  -0.05   0.13    -0.01  -0.00  -0.00
     7   6     0.00   0.03  -0.02     0.03   0.00   0.01    -0.00  -0.00  -0.00
     8   6     0.00   0.01  -0.00     0.01  -0.00  -0.01    -0.00   0.00   0.00
     9   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    10   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    11   6    -0.02  -0.04   0.02    -0.02  -0.00  -0.01    -0.02  -0.04   0.04
    12   6     0.00   0.00  -0.01    -0.00   0.02   0.00     0.27   0.57  -0.32
    13   8    -0.00  -0.00   0.00    -0.00  -0.01   0.00    -0.15  -0.38   0.18
    14   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.02  -0.05   0.02
    15   1    -0.28  -0.03  -0.09    -0.29  -0.24   0.03     0.01   0.01   0.00
    16   1    -0.28  -0.02  -0.11     0.25  -0.21   0.23     0.03  -0.01  -0.01
    17   1     0.29   0.03   0.10     0.27   0.22  -0.02    -0.02  -0.01   0.00
    18   1     0.30   0.01   0.11    -0.24   0.20  -0.20     0.00  -0.01   0.01
    19   1     0.20  -0.03   0.04     0.02   0.01  -0.01    -0.00  -0.00   0.00
    20   1    -0.21  -0.01  -0.01     0.02  -0.01   0.00     0.00   0.00   0.00
    21   1    -0.00  -0.01   0.01    -0.01   0.02   0.03     0.00  -0.00  -0.00
    22   1     0.01  -0.01  -0.01    -0.00  -0.01  -0.00     0.00   0.00   0.00
    23   1    -0.01   0.01   0.01    -0.01   0.00   0.01    -0.00   0.00   0.00
    24   1     0.01  -0.00   0.01     0.01   0.01   0.01     0.00  -0.00   0.00
    25   1     0.01  -0.01  -0.01    -0.01   0.01   0.00    -0.00   0.00   0.00
    26   1    -0.01   0.00   0.01    -0.00   0.00  -0.01    -0.00   0.00   0.00
    27   1    -0.01  -0.01  -0.01     0.01  -0.00   0.01     0.00   0.00   0.00
    28   1     0.27   0.06   0.06    -0.02   0.00   0.01    -0.18   0.00   0.15
    29   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.01   0.00
    30   1    -0.00   0.02   0.00     0.00   0.01   0.00    -0.05   0.46   0.08
    31   1     0.01   0.01   0.02     0.02   0.00   0.00     0.04   0.00  -0.05
    32   1     0.01   0.01  -0.02    -0.01   0.02   0.02     0.03   0.01  -0.03
    33   1    -0.02  -0.00  -0.01     0.02   0.00   0.01    -0.02  -0.11  -0.04
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3002.8966              3025.8887              3027.4261
 Red. masses --      1.0816                 1.0345                 1.0482
 Frc consts  --      5.7464                 5.5808                 5.6602
 IR Inten    --     21.4644                34.6048                41.8840
 RamAct Fr= 1--    133.7203                14.4847                56.3937
  Dep-P Fr= 1--      0.4575                 0.6810                 0.5464
  Dep-U Fr= 1--      0.6278                 0.8102                 0.7067
 Alpha2 Fr= 1--      0.7953                 0.0176                 0.2200
 Beta2  Fr= 1--     13.9905                 1.9559                 6.6418
 AlphaG Fr= 1--     -0.0031                -0.0141                 0.0967
 Gamma2 Fr= 1--     -0.7506                 0.3141                -2.4876
 Delta2 Fr= 1--      0.9699                -1.1460                 1.1126
 Raman1 Fr= 1--     534.881                 57.939                225.575
 ROA1   Fr= 1--     -41.021                 -6.521               -203.210
 CID1   Fr= 1--      -0.077                 -0.113                 -0.901
 Raman2 Fr= 1--     167.886                 23.471                 79.702
 ROA2   Fr= 1--     -25.773                 16.705                -68.605
 CID2   Fr= 1--      -0.154                  0.712                 -0.861
 Raman3 Fr= 1--     335.772                 46.942                159.403
 ROA3   Fr= 1--     -41.021                 -6.521               -203.210
 CID3   Fr= 1--      -0.122                 -0.139                 -1.275
 RC180  Fr= 1--       0.256                  0.620                  0.413
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     2   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     3   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     4   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     5   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     6   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     7   6     0.00   0.01   0.02     0.00   0.00   0.00    -0.01  -0.02  -0.04
     8   6    -0.07  -0.01  -0.04     0.00   0.00   0.00    -0.01  -0.00  -0.01
     9   6     0.01  -0.00   0.00    -0.00  -0.03  -0.00    -0.00  -0.03   0.00
    10   6     0.01   0.00   0.00    -0.00  -0.02   0.03     0.00   0.01  -0.02
    11   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    12   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    13   8    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    15   1     0.00  -0.00   0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00
    16   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    17   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    18   1     0.00   0.00  -0.00    -0.00  -0.01   0.00    -0.00  -0.00   0.00
    19   1    -0.05  -0.18  -0.02    -0.01  -0.04  -0.01     0.12   0.47   0.05
    20   1    -0.01   0.09  -0.16    -0.00   0.01  -0.02     0.04  -0.23   0.43
    21   1     0.84   0.13   0.43    -0.01  -0.00  -0.00     0.14   0.02   0.07
    22   1     0.00   0.02  -0.05     0.00   0.18  -0.36     0.00   0.17  -0.33
    23   1    -0.07  -0.01  -0.04     0.31   0.06   0.16     0.24   0.05   0.13
    24   1    -0.04   0.02   0.03    -0.27   0.14   0.20    -0.23   0.12   0.17
    25   1    -0.07  -0.01  -0.04    -0.35  -0.06  -0.19     0.17   0.03   0.10
    26   1    -0.00  -0.05  -0.01     0.08   0.47   0.06    -0.05  -0.29  -0.04
    27   1    -0.04   0.02   0.03     0.32  -0.17  -0.23    -0.18   0.10   0.13
    28   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    29   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    30   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    31   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    32   1     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    33   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3032.9051              3047.1764              3063.7496
 Red. masses --      1.0481                 1.0355                 1.1040
 Frc consts  --      5.6801                 5.6651                 6.1053
 IR Inten    --     18.5549                23.3992                17.9578
 RamAct Fr= 1--    536.8689               216.7993                53.2487
  Dep-P Fr= 1--      0.0112                 0.0639                 0.7500
  Dep-U Fr= 1--      0.0221                 0.1202                 0.8571
 Alpha2 Fr= 1--     11.6222                 4.1423                 0.0000
 Beta2  Fr= 1--      1.9814                 4.3421                 7.6069
 AlphaG Fr= 1--     -0.3076                -0.3622                 0.0043
 Gamma2 Fr= 1--     -0.5577                -0.4419                -0.8710
 Delta2 Fr= 1--      0.1551                 3.5571                -1.3616
 Raman1 Fr= 1--    2147.475                867.197                212.995
 ROA1   Fr= 1--     -48.578                 71.407               -127.190
 CID1   Fr= 1--      -0.023                  0.082                 -0.597
 Raman2 Fr= 1--      23.777                 52.105                 91.282
 ROA2   Fr= 1--     -14.626                -39.062                -10.011
 CID2   Fr= 1--      -0.615                 -0.750                 -0.110
 Raman3 Fr= 1--      47.553                104.211                182.564
 ROA3   Fr= 1--     -48.578                 71.407               -127.190
 CID3   Fr= 1--      -1.022                  0.685                 -0.697
 RC180  Fr= 1--      -0.956                 -0.760                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     3   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     5   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   6    -0.01  -0.02  -0.04     0.00   0.00   0.00    -0.01  -0.08   0.04
     8   6    -0.01  -0.00  -0.01     0.00   0.00   0.00    -0.00  -0.00   0.00
     9   6     0.01   0.03   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.01
    10   6     0.00  -0.01   0.02    -0.00   0.00  -0.00     0.00   0.01   0.00
    11   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    12   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   8    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    14   8    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    15   1    -0.01   0.01  -0.01     0.00  -0.00   0.00     0.01  -0.01   0.01
    16   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    17   1    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   1    -0.01  -0.01   0.00     0.00   0.00  -0.00    -0.01  -0.01   0.00
    19   1     0.11   0.45   0.05    -0.00  -0.00  -0.00     0.17   0.67   0.10
    20   1     0.03  -0.22   0.41    -0.00   0.00  -0.00    -0.05   0.31  -0.63
    21   1     0.16   0.02   0.08    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    22   1    -0.00  -0.14   0.28     0.00   0.00  -0.00    -0.00  -0.02   0.04
    23   1    -0.27  -0.05  -0.14     0.00   0.00   0.00     0.03   0.01   0.01
    24   1     0.21  -0.11  -0.15    -0.00   0.00   0.00    -0.03   0.02   0.02
    25   1    -0.26  -0.04  -0.14     0.00   0.00   0.00    -0.03  -0.00  -0.02
    26   1     0.05   0.29   0.03    -0.00  -0.00  -0.00    -0.01  -0.05  -0.01
    27   1     0.20  -0.10  -0.14    -0.00  -0.00  -0.00     0.03  -0.01  -0.02
    28   1     0.00  -0.00   0.00    -0.01   0.03  -0.02    -0.00  -0.00   0.00
    29   6    -0.00  -0.00  -0.00    -0.01  -0.03  -0.04    -0.00   0.00  -0.00
    30   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    31   1    -0.00   0.00  -0.00    -0.09   0.39  -0.22     0.00  -0.00  -0.00
    32   1     0.01   0.00   0.00     0.63   0.01   0.24     0.00   0.00   0.00
    33   1    -0.00  -0.00   0.00    -0.38  -0.07   0.43    -0.00  -0.00   0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3070.7138              3085.7857              3088.3421
 Red. masses --      1.0840                 1.1020                 1.1008
 Frc consts  --      6.0223                 6.1825                 6.1862
 IR Inten    --      6.9601                15.1808                50.7954
 RamAct Fr= 1--     65.5305                38.4491               135.1405
  Dep-P Fr= 1--      0.1951                 0.7487                 0.6937
  Dep-U Fr= 1--      0.3265                 0.8563                 0.8192
 Alpha2 Fr= 1--      0.9016                 0.0009                 0.1331
 Beta2  Fr= 1--      3.5657                 5.4871                18.4502
 AlphaG Fr= 1--     -0.4027                -0.0651                 0.1131
 Gamma2 Fr= 1--     -3.2911                 0.3793                 4.0836
 Delta2 Fr= 1--     -1.6879                -0.9460                 4.5378
 Raman1 Fr= 1--     262.122                153.796                540.562
 ROA1   Fr= 1--    -369.957                  6.139                537.235
 CID1   Fr= 1--      -1.411                  0.040                  0.994
 Raman2 Fr= 1--      42.788                 65.846                221.403
 ROA2   Fr= 1--     -65.483                 16.671                 61.704
 CID2   Fr= 1--      -1.530                  0.253                  0.279
 Raman3 Fr= 1--      85.576                131.691                442.805
 ROA3   Fr= 1--    -369.957                  6.139                537.235
 CID3   Fr= 1--      -4.323                  0.047                  1.213
 RC180  Fr= 1--      -0.347                  0.713                  0.638
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     2   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     3   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     4   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     5   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     7   6    -0.00  -0.00  -0.00    -0.00  -0.01   0.00    -0.00  -0.00  -0.00
     8   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     9   6     0.00  -0.00  -0.00    -0.03  -0.00   0.05     0.02   0.00  -0.06
    10   6     0.00   0.00   0.00     0.02  -0.06  -0.03     0.01  -0.05  -0.03
    11   6     0.02  -0.07   0.04     0.00  -0.00   0.00    -0.00   0.00  -0.00
    12   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   8     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    14   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    15   1    -0.00   0.00  -0.00     0.01  -0.01   0.01    -0.00   0.01  -0.01
    16   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    17   1     0.01  -0.02   0.02    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    18   1     0.00   0.00  -0.00    -0.01  -0.01   0.00    -0.00  -0.01   0.00
    19   1     0.00   0.00   0.00     0.01   0.06   0.01     0.00   0.01   0.00
    20   1     0.00  -0.00   0.00    -0.00   0.03  -0.06     0.00  -0.01   0.02
    21   1     0.00   0.00   0.00     0.00   0.00   0.00     0.02   0.00   0.01
    22   1     0.00  -0.00   0.00    -0.00   0.21  -0.40     0.00  -0.25   0.47
    23   1    -0.00  -0.00  -0.00    -0.03  -0.01  -0.00     0.10   0.02   0.03
    24   1    -0.00   0.00   0.00     0.35  -0.18  -0.25    -0.39   0.21   0.28
    25   1    -0.00  -0.00  -0.00     0.06  -0.01   0.02     0.13   0.01   0.07
    26   1     0.00  -0.00   0.00     0.09   0.51   0.05     0.08   0.47   0.05
    27   1     0.00  -0.00  -0.00    -0.40   0.20   0.29    -0.32   0.15   0.23
    28   1    -0.21   0.84  -0.46    -0.00   0.00  -0.00     0.00  -0.00   0.00
    29   6    -0.00   0.01  -0.01    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    30   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    31   1     0.03  -0.14   0.08     0.00  -0.00   0.00    -0.00   0.00  -0.00
    32   1     0.04   0.00   0.01     0.00   0.00   0.00     0.00   0.00   0.00
    33   1    -0.01  -0.00   0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3091.4875              3096.7217              3110.8035
 Red. masses --      1.1017                 1.1008                 1.1023
 Frc consts  --      6.2036                 6.2195                 6.2850
 IR Inten    --      7.4386                77.7085                27.5036
 RamAct Fr= 1--     12.1241                60.3993               102.1369
  Dep-P Fr= 1--      0.7467                 0.4909                 0.6742
  Dep-U Fr= 1--      0.8550                 0.6586                 0.8054
 Alpha2 Fr= 1--      0.0007                 0.3110                 0.1371
 Beta2  Fr= 1--      1.7276                 6.6295                13.7098
 AlphaG Fr= 1--      0.0306                 0.0249                 0.0763
 Gamma2 Fr= 1--     -3.2318                 1.3335                -2.2916
 Delta2 Fr= 1--     -0.4174                -1.8895                -3.9501
 Raman1 Fr= 1--      48.496                241.597                408.548
 ROA1   Fr= 1--    -323.612                 67.549               -346.400
 CID1   Fr= 1--      -6.673                  0.280                 -0.848
 Raman2 Fr= 1--      20.731                 79.554                164.518
 ROA2   Fr= 1--     -74.224                 47.119                -23.398
 CID2   Fr= 1--      -3.580                  0.592                 -0.142
 Raman3 Fr= 1--      41.463                159.108                329.035
 ROA3   Fr= 1--    -323.612                 67.549               -346.400
 CID3   Fr= 1--      -7.805                  0.425                 -1.053
 RC180  Fr= 1--       0.710                  0.317                  0.611
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     4   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     7   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     8   6    -0.00  -0.00  -0.00    -0.01  -0.00  -0.01     0.00   0.00   0.00
     9   6     0.06  -0.01   0.03    -0.06   0.01  -0.02     0.00  -0.00   0.00
    10   6    -0.06  -0.01  -0.01    -0.06  -0.01  -0.01     0.00   0.00   0.00
    11   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    12   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    14   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    15   1    -0.00   0.01  -0.00     0.00  -0.01   0.00     0.00  -0.00   0.00
    16   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    17   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   1     0.00   0.01  -0.00     0.00   0.01  -0.00    -0.00  -0.00   0.00
    19   1     0.01   0.03   0.00     0.00   0.02   0.00    -0.00  -0.00  -0.00
    20   1    -0.00   0.01  -0.03     0.00  -0.01   0.02    -0.00   0.00  -0.00
    21   1     0.01  -0.00   0.00     0.15   0.02   0.07    -0.00  -0.00  -0.00
    22   1     0.02   0.12  -0.23    -0.01  -0.09   0.17     0.00   0.00  -0.00
    23   1    -0.50  -0.11  -0.26     0.52   0.12   0.28    -0.00  -0.00  -0.00
    24   1    -0.18   0.10   0.15     0.26  -0.14  -0.21    -0.00   0.00   0.00
    25   1     0.52   0.08   0.30     0.47   0.07   0.27    -0.00  -0.00  -0.00
    26   1     0.02   0.23   0.02     0.02   0.17   0.02    -0.00  -0.00  -0.00
    27   1     0.23  -0.13  -0.19     0.24  -0.14  -0.20    -0.00   0.00   0.00
    28   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.01  -0.04   0.02
    29   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.09   0.01   0.01
    30   1     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    31   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.01  -0.17   0.09
    32   1     0.00  -0.00   0.00     0.00   0.00   0.00     0.65   0.02   0.26
    33   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.43   0.08  -0.52
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3129.7281              3161.7791              3167.2220
 Red. masses --      1.1014                 1.0867                 1.0872
 Frc consts  --      6.3561                 6.4009                 6.4254
 IR Inten    --     12.5854                11.0243                 8.4974
 RamAct Fr= 1--     26.1062                48.8395                52.8011
  Dep-P Fr= 1--      0.6762                 0.7293                 0.6407
  Dep-U Fr= 1--      0.8068                 0.8434                 0.7810
 Alpha2 Fr= 1--      0.0340                 0.0173                 0.1042
 Beta2  Fr= 1--      3.5106                 6.8656                 6.8732
 AlphaG Fr= 1--     -0.0101                 0.0009                 0.2018
 Gamma2 Fr= 1--      0.6968                -5.4920                 4.5528
 Delta2 Fr= 1--      1.9169                 1.2386                 1.6793
 Raman1 Fr= 1--     104.425                195.358                211.204
 ROA1   Fr= 1--     128.233               -487.594                490.807
 CID1   Fr= 1--       1.228                 -2.496                  2.324
 Raman2 Fr= 1--      42.127                 82.387                 82.479
 ROA2   Fr= 1--       1.387               -141.716                 95.833
 CID2   Fr= 1--       0.033                 -1.720                  1.162
 Raman3 Fr= 1--      84.254                164.774                164.957
 ROA3   Fr= 1--     128.233               -487.594                490.807
 CID3   Fr= 1--       1.522                 -2.959                  2.975
 RC180  Fr= 1--       0.614                  0.687                  0.562
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.03  -0.05   0.04
     2   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     3   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.02   0.03  -0.01
     4   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     5   6    -0.00   0.00  -0.00     0.02  -0.05   0.04    -0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00     0.03   0.04  -0.01    -0.00  -0.01   0.00
     7   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     8   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     9   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    10   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    11   6     0.00  -0.01   0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    12   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   8     0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    14   8     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    15   1    -0.00   0.01  -0.01    -0.02   0.04  -0.03    -0.31   0.61  -0.49
    16   1    -0.02  -0.03   0.01    -0.02  -0.03   0.01    -0.28  -0.41   0.13
    17   1     0.01  -0.01   0.01    -0.29   0.56  -0.43     0.01  -0.01   0.01
    18   1     0.00   0.00  -0.00    -0.35  -0.51   0.15     0.04   0.06  -0.02
    19   1     0.00   0.00   0.00    -0.00  -0.01  -0.00     0.00   0.00  -0.00
    20   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.01  -0.02
    21   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    22   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.01  -0.01
    23   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.01   0.00   0.01
    24   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.01  -0.00  -0.00
    25   1     0.00   0.00   0.00     0.01   0.00   0.00    -0.00  -0.00  -0.00
    26   1     0.00   0.00   0.00    -0.00  -0.01  -0.00     0.00   0.00   0.00
    27   1     0.00  -0.00  -0.00     0.01  -0.00  -0.00    -0.00   0.00   0.00
    28   1    -0.03   0.14  -0.07    -0.01   0.02  -0.01     0.00  -0.00   0.00
    29   6     0.00  -0.06   0.07     0.00  -0.00   0.00    -0.00   0.00  -0.00
    30   1    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    31   1    -0.16   0.74  -0.39    -0.00   0.01  -0.00     0.00  -0.02   0.01
    32   1    -0.18  -0.02  -0.06    -0.00  -0.00  -0.00     0.01   0.00   0.00
    33   1     0.30   0.04  -0.33     0.00  -0.00  -0.00    -0.01  -0.00   0.01
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3178.7930              3185.4181              3723.5538
 Red. masses --      1.0936                 1.0937                 1.0639
 Frc consts  --      6.5107                 6.5387                 8.6912
 IR Inten    --     18.0639                 3.2051                65.9155
 RamAct Fr= 1--     92.9466               133.8514               146.7079
  Dep-P Fr= 1--      0.1451                 0.1277                 0.2472
  Dep-U Fr= 1--      0.2535                 0.2265                 0.3965
 Alpha2 Fr= 1--      1.4547                 2.1885                 1.7522
 Beta2  Fr= 1--      3.9267                 5.0526                 9.6942
 AlphaG Fr= 1--     -1.1407                 0.3127                -0.2922
 Gamma2 Fr= 1--     -7.5941                 5.7612                -5.0986
 Delta2 Fr= 1--     -2.3762                 0.6423                 0.1466
 Raman1 Fr= 1--     371.786                535.406                586.832
 ROA1   Fr= 1--    -805.075                573.628               -484.772
 CID1   Fr= 1--      -2.165                  1.071                 -0.826
 Raman2 Fr= 1--      47.120                 60.631                116.330
 ROA2   Fr= 1--    -163.249                133.131               -123.538
 CID2   Fr= 1--      -3.465                  2.196                 -1.062
 Raman3 Fr= 1--      94.240                121.262                232.661
 ROA3   Fr= 1--    -805.075                573.628               -484.772
 CID3   Fr= 1--      -8.543                  4.730                 -2.084
 RC180  Fr= 1--      -0.493                 -0.547                 -0.207
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.02  -0.03   0.03     0.00  -0.00   0.00
     2   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.01  -0.01   0.00    -0.04  -0.06   0.02    -0.00   0.00   0.00
     4   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     5   6     0.02  -0.04   0.03    -0.00   0.01  -0.01     0.00   0.00   0.00
     6   6    -0.04  -0.05   0.01     0.01   0.01  -0.00     0.00   0.00  -0.00
     7   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     8   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     9   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    10   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    11   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    12   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    13   8    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    14   8    -0.00   0.00   0.00     0.00   0.00  -0.00     0.04   0.01  -0.05
    15   1    -0.02   0.04  -0.03    -0.19   0.37  -0.30    -0.00   0.00  -0.00
    16   1     0.10   0.14  -0.04     0.46   0.66  -0.21     0.00  -0.00   0.00
    17   1    -0.24   0.46  -0.35     0.04  -0.08   0.06     0.00  -0.00   0.00
    18   1     0.41   0.60  -0.18    -0.08  -0.11   0.03    -0.00  -0.00   0.00
    19   1     0.01   0.01   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    20   1     0.00   0.00   0.00    -0.00   0.00  -0.01    -0.00   0.00  -0.00
    21   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    22   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    23   1     0.00   0.00   0.00     0.01   0.00   0.00    -0.00  -0.00  -0.00
    24   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    25   1    -0.01  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    26   1     0.00   0.01   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    27   1    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    28   1    -0.00   0.01  -0.01     0.00  -0.00   0.00    -0.00   0.00   0.00
    29   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    30   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.58  -0.14   0.80
    31   1    -0.00   0.01  -0.00    -0.00   0.02  -0.01     0.00  -0.00  -0.00
    32   1    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    33   1     0.00   0.00  -0.00     0.00   0.00  -0.01    -0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  8 and mass  15.99491
 Atom    14 has atomic number  8 and mass  15.99491
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  6 and mass  12.00000
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Molecular mass:   206.13068 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1287.498276738.777736840.31589
           X            0.99998  -0.00191   0.00550
           Y            0.00191   1.00000   0.00032
           Z           -0.00550  -0.00031   0.99998
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06727     0.01285     0.01266
 Rotational constants (GHZ):           1.40174     0.26781     0.26384
 Zero-point vibrational energy     746965.1 (Joules/Mol)
                                  178.52894 (Kcal/Mol)
 Warning -- explicit consideration of  22 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     35.05    56.07    71.41    81.13   124.06
          (Kelvin)            147.50   248.99   303.14   322.84   345.30
                              355.50   384.71   403.39   487.83   512.91
                              561.35   584.57   607.33   608.42   722.87
                              745.53   860.32   903.55   923.38   957.79
                             1012.13  1107.06  1119.97  1177.83  1206.60
                             1226.39  1233.06  1255.41  1295.57  1356.12
                             1378.65  1395.23  1400.98  1413.23  1459.79
                             1506.26  1559.31  1575.47  1588.17  1597.25
                             1649.11  1671.66  1730.58  1745.42  1760.32
                             1779.02  1790.62  1842.33  1883.94  1884.93
                             1941.79  1965.66  1978.77  1997.10  2003.66
                             2021.60  2037.17  2049.91  2101.74  2142.65
                             2143.19  2146.97  2154.44  2156.65  2170.58
                             2175.99  2232.90  2327.17  2385.80  2598.07
                             4320.50  4353.58  4355.79  4363.67  4384.21
                             4408.05  4418.07  4439.76  4443.44  4447.96
                             4455.49  4475.75  4502.98  4549.09  4556.93
                             4573.57  4583.11  5357.36
 
 Zero-point correction=                           0.284504 (Hartree/Particle)
 Thermal correction to Energy=                    0.300043
 Thermal correction to Enthalpy=                  0.300987
 Thermal correction to Gibbs Free Energy=         0.240275
 Sum of electronic and zero-point Energies=           -656.739092
 Sum of electronic and thermal Energies=              -656.723554
 Sum of electronic and thermal Enthalpies=            -656.722610
 Sum of electronic and thermal Free Energies=         -656.783321
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  188.280             58.568            127.778
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.874
 Rotational               0.889              2.981             32.451
 Vibrational            186.502             52.607             53.453
 Vibration     1          0.593              1.985              6.242
 Vibration     2          0.594              1.981              5.311
 Vibration     3          0.595              1.978              4.832
 Vibration     4          0.596              1.975              4.580
 Vibration     5          0.601              1.959              3.744
 Vibration     6          0.605              1.947              3.406
 Vibration     7          0.627              1.876              2.402
 Vibration     8          0.643              1.825              2.038
 Vibration     9          0.649              1.804              1.923
 Vibration    10          0.657              1.779              1.803
 Vibration    11          0.661              1.768              1.751
 Vibration    12          0.672              1.733              1.613
 Vibration    13          0.680              1.710              1.531
 Vibration    14          0.719              1.597              1.217
 Vibration    15          0.732              1.562              1.137
 Vibration    16          0.758              1.491              1.000
 Vibration    17          0.771              1.457              0.940
 Vibration    18          0.784              1.422              0.885
 Vibration    19          0.785              1.421              0.882
 Vibration    20          0.858              1.245              0.652
 Vibration    21          0.873              1.210              0.614
 Vibration    22          0.956              1.036              0.453
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.302725-110       -110.518952       -254.479292
 Total V=0       0.220635D+21         20.343674         46.843039
 Vib (Bot)       0.943697-125       -125.025168       -287.881087
 Vib (Bot)    1  0.850060D+01          0.929450          2.140137
 Vib (Bot)    2  0.530971D+01          0.725071          1.669537
 Vib (Bot)    3  0.416508D+01          0.619623          1.426734
 Vib (Bot)    4  0.366352D+01          0.563898          1.298423
 Vib (Bot)    5  0.238606D+01          0.377682          0.869644
 Vib (Bot)    6  0.200086D+01          0.301216          0.693575
 Vib (Bot)    7  0.116335D+01          0.065711          0.151306
 Vib (Bot)    8  0.942423D+00         -0.025754         -0.059301
 Vib (Bot)    9  0.879904D+00         -0.055565         -0.127942
 Vib (Bot)   10  0.817028D+00         -0.087763         -0.202082
 Vib (Bot)   11  0.790975D+00         -0.101837         -0.234489
 Vib (Bot)   12  0.723730D+00         -0.140424         -0.323337
 Vib (Bot)   13  0.685613D+00         -0.163921         -0.377442
 Vib (Bot)   14  0.547971D+00         -0.261242         -0.601532
 Vib (Bot)   15  0.515347D+00         -0.287901         -0.662916
 Vib (Bot)   16  0.460102D+00         -0.337146         -0.776308
 Vib (Bot)   17  0.436652D+00         -0.359865         -0.828620
 Vib (Bot)   18  0.415297D+00         -0.381641         -0.878761
 Vib (Bot)   19  0.414315D+00         -0.382669         -0.881128
 Vib (Bot)   20  0.326421D+00         -0.486221         -1.119566
 Vib (Bot)   21  0.312031D+00         -0.505802         -1.164653
 Vib (Bot)   22  0.250244D+00         -0.601636         -1.385319
 Vib (V=0)       0.687794D+06          5.837458         13.441244
 Vib (V=0)    1  0.901529D+01          0.954980          2.198922
 Vib (V=0)    2  0.583320D+01          0.765907          1.763565
 Vib (V=0)    3  0.469498D+01          0.671634          1.546494
 Vib (V=0)    4  0.419748D+01          0.622988          1.434484
 Vib (V=0)    5  0.293789D+01          0.468035          1.077691
 Vib (V=0)    6  0.256238D+01          0.408644          0.940937
 Vib (V=0)    7  0.176625D+01          0.247052          0.568858
 Vib (V=0)    8  0.156685D+01          0.195027          0.449065
 Vib (V=0)    9  0.151204D+01          0.179564          0.413462
 Vib (V=0)   10  0.145788D+01          0.163722          0.376984
 Vib (V=0)   11  0.143576D+01          0.157081          0.361692
 Vib (V=0)   12  0.137965D+01          0.139769          0.321830
 Vib (V=0)   13  0.134857D+01          0.129872          0.299042
 Vib (V=0)   14  0.124180D+01          0.094053          0.216565
 Vib (V=0)   15  0.121804D+01          0.085662          0.197243
 Vib (V=0)   16  0.117948D+01          0.071691          0.165074
 Vib (V=0)   17  0.116383D+01          0.065888          0.151713
 Vib (V=0)   18  0.114998D+01          0.060690          0.139743
 Vib (V=0)   19  0.114935D+01          0.060453          0.139198
 Vib (V=0)   20  0.109712D+01          0.040254          0.092688
 Vib (V=0)   21  0.108938D+01          0.037178          0.085605
 Vib (V=0)   22  0.105913D+01          0.024948          0.057444
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.116324D+09          8.065668         18.571887
 Rotational      0.275770D+07          6.440548         14.829909
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3        33333333333333333                           111111111111111111111111111111111111                                       
     7        11111100000000000                           8665554444444443333333222222111100009999998888877766655544433322222211     
     2        87663199887643220                           051510999986210987651084321064109841877540755317606429102209538644217085532
     4        59720171861473763                           687229972091565385600905633326045475240830372998936288823260690770413366094
 
     X        XXXXXXXXXXXXXXXXX                           XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX
     X             XX X   X XXX                           X  X           X            XX X X        X      X XXX                     
     X              X X     XX                            X              X            XX X X               X  XX                     
     X              X X                                   X                           X    X                   X                     
     X              X                                     X                           X                        X                     
                    X                                     X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000001178    0.000001280   -0.000000052
      2        6          -0.000001173    0.000000552    0.000000244
      3        6          -0.000000695   -0.000000641   -0.000002328
      4        6           0.000006063    0.000003035    0.000003642
      5        6          -0.000004768    0.000000520    0.000001781
      6        6           0.000003605   -0.000000223    0.000000922
      7        6          -0.000000279   -0.000000691    0.000002011
      8        6           0.000002423    0.000001264   -0.000001038
      9        6          -0.000001382   -0.000003848   -0.000000662
     10        6           0.000000641   -0.000000141   -0.000002315
     11        6          -0.000006060   -0.000004646   -0.000007542
     12        6           0.000000251   -0.000001668    0.000003198
     13        8           0.000000828    0.000001403   -0.000000760
     14        8           0.000000220    0.000002144    0.000001309
     15        1           0.000000913   -0.000001477   -0.000000384
     16        1           0.000000636   -0.000000121    0.000000020
     17        1           0.000000925   -0.000000300    0.000000159
     18        1          -0.000000870   -0.000000548    0.000000174
     19        1           0.000000350   -0.000000158    0.000000025
     20        1           0.000000335   -0.000000978   -0.000001909
     21        1          -0.000000210    0.000000238    0.000000607
     22        1           0.000000739    0.000000270   -0.000000704
     23        1          -0.000000254    0.000001292   -0.000000263
     24        1          -0.000000369    0.000000341   -0.000000512
     25        1          -0.000000680   -0.000000283    0.000000673
     26        1           0.000000238    0.000000085    0.000000080
     27        1          -0.000000070    0.000000076    0.000000447
     28        1           0.000000639   -0.000000423    0.000000682
     29        6          -0.000001262    0.000004214    0.000003095
     30        1           0.000000909   -0.000000468    0.000000046
     31        1          -0.000001047   -0.000000100   -0.000000501
     32        1           0.000000423    0.000000418   -0.000000173
     33        1           0.000000160   -0.000000422    0.000000027
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000007542 RMS     0.000001834
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.212070D+03  0.618373D+01  0.766266D+01
      2   0.618373D+01  0.154108D+03 -0.866357D+01
      3   0.766266D+01 -0.866357D+01  0.139296D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.681490D+01  0.455430D+01 -0.104776D+00
      2  -0.106833D+02  0.964524D+01 -0.511370D+02
      3  -0.351866D+02  0.510058D+02 -0.176203D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.194640D+03  0.209126D+02 -0.439430D+02
      2   0.850337D+02 -0.223833D+02 -0.260977D+01
      3   0.109606D+03  0.147061D+01  0.465527D+02
      4   0.296897D+02 -0.110270D+03  0.273198D+02
      5   0.156358D+02  0.300731D+02 -0.975570D+02
      6   0.631422D+01  0.235251D+02  0.263250D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.921127D+01  0.131474D+01  0.238748D+01  0.118949D+02 -0.339383D+00
      2   0.131474D+01 -0.208022D+01  0.525085D-02 -0.339383D+00  0.232424D+01
      3   0.238748D+01  0.525085D-02  0.320189D+00  0.135038D+01  0.854963D+00
                 6             7             8             9            10 
      1   0.135038D+01 -0.798270D+00 -0.173439D+01  0.901611D-01 -0.289266D+02
      2   0.854963D+00 -0.173439D+01  0.798448D+00  0.766981D+00 -0.170295D-01
      3  -0.506274D+00  0.901611D-01  0.766981D+00 -0.428346D+01 -0.322810D+01
                11            12            13            14            15 
      1  -0.170295D-01 -0.322810D+01  0.659697D-01 -0.126870D+01 -0.171194D+01
      2  -0.255839D+01  0.825515D+00 -0.126870D+01 -0.167865D+01 -0.262695D+00
      3   0.825515D+00 -0.192260D+01 -0.171194D+01 -0.262695D+00 -0.129828D+01
                16            17            18            19            20 
      1  -0.631172D+01 -0.175308D+01 -0.452790D+01 -0.666709D+01 -0.513442D+00
      2  -0.175308D+01 -0.974245D+00 -0.644507D+00 -0.513442D+00  0.107219D+01
      3  -0.452790D+01 -0.644507D+00 -0.299860D+01 -0.267981D+01 -0.150498D+01
                21            22            23            24            25 
      1  -0.267981D+01  0.947514D+01  0.597861D+00  0.274288D+01 -0.971670D+01
      2  -0.150498D+01  0.597861D+00  0.307157D+01  0.118452D+01 -0.948815D+00
      3   0.252154D+01  0.274288D+01  0.118452D+01  0.797228D+00 -0.607515D+00
                26            27            28            29            30 
      1  -0.948815D+00 -0.607515D+00  0.248438D+02  0.162336D+01  0.462107D+01
      2   0.187096D+01  0.847562D+00  0.162336D+01  0.235452D+01 -0.142836D+00
      3   0.847562D+00 -0.186680D+01  0.462107D+01 -0.142836D+00  0.268634D+01
                31            32            33            34            35 
      1   0.904619D+00  0.109946D+01  0.177381D+01  0.454686D+01  0.217942D+01
      2   0.109946D+01 -0.552059D+00  0.619984D+00  0.217942D+01  0.209389D+01
      3   0.177381D+01  0.619984D+00  0.214252D+01  0.513961D+01  0.803990D+00
                36            37            38            39            40 
      1   0.513961D+01 -0.104240D+02 -0.140668D+01 -0.304777D+01 -0.128377D+02
      2   0.803990D+00 -0.140668D+01  0.398527D+01 -0.304476D-02 -0.868273D+00
      3   0.231582D+01 -0.304777D+01 -0.304476D-02 -0.566643D+00 -0.133159D+01
                41            42            43            44            45 
      1  -0.868273D+00 -0.133159D+01  0.576542D+00  0.181595D+01  0.342489D+00
      2  -0.186298D+01 -0.136612D+01  0.181595D+01 -0.782930D+00 -0.110546D+01
      3  -0.136612D+01 -0.153164D+00  0.342489D+00 -0.110546D+01  0.435349D+01
                46            47            48            49            50 
      1   0.762123D+01  0.518612D+00  0.291057D+01 -0.841574D+01  0.729989D+00
      2   0.518612D+00 -0.219756D+01  0.160849D+01  0.729989D+00 -0.241138D+01
      3   0.291057D+01  0.160849D+01 -0.208905D+01 -0.258479D+01 -0.124612D+01
                51            52            53            54            55 
      1  -0.258479D+01  0.112723D+02  0.495569D+00 -0.905629D-01  0.160685D+02
      2  -0.124612D+01  0.495569D+00 -0.350405D+01 -0.126310D+01 -0.171332D+01
      3  -0.107860D+01 -0.905629D-01 -0.126310D+01  0.147062D+01 -0.134202D+01
                56            57            58            59            60 
      1  -0.171332D+01 -0.134202D+01 -0.449714D+01  0.358008D+01  0.138910D+01
      2   0.199059D+01  0.907156D+00  0.358008D+01  0.478757D+01  0.216040D+01
      3   0.907156D+00  0.145097D+01  0.138910D+01  0.216040D+01 -0.289303D+01
                61            62            63            64            65 
      1  -0.479965D+01  0.157239D+01  0.344708D+01 -0.151327D+01  0.310314D+01
      2   0.157239D+01  0.788056D+00 -0.218894D+01  0.310314D+01 -0.137117D+01
      3   0.344708D+01 -0.218894D+01  0.461711D+01  0.566870D+01 -0.794565D+00
                66            67            68            69            70 
      1   0.566870D+01  0.755379D+01 -0.125038D+01 -0.108612D+01  0.134650D+02
      2  -0.794565D+00 -0.125038D+01 -0.499010D+01 -0.813373D+00 -0.178671D+01
      3   0.267571D+00 -0.108612D+01 -0.813373D+00  0.358614D+01  0.515140D+00
                71            72            73            74            75 
      1  -0.178671D+01  0.515140D+00  0.114004D+00 -0.317236D+01 -0.469177D+01
      2  -0.116771D+01  0.369685D+01 -0.317236D+01  0.185707D+01  0.125930D+01
      3   0.369685D+01 -0.173872D+01 -0.469177D+01  0.125930D+01  0.206390D+00
                76            77            78            79            80 
      1  -0.378603D+01  0.103897D+01  0.843822D+00 -0.640225D+01  0.168900D+01
      2   0.103897D+01  0.319900D+01  0.917575D+00  0.168900D+01  0.131348D+01
      3   0.843822D+00  0.917575D+00 -0.348076D+01  0.772977D+00 -0.446651D+01
                81            82            83            84            85 
      1   0.772977D+00  0.749792D-01 -0.202446D+01 -0.509887D+01 -0.306918D+01
      2  -0.446651D+01 -0.202446D+01  0.133792D+01  0.812755D+00  0.178940D+01
      3   0.275606D+01 -0.509887D+01  0.812755D+00  0.836181D+00  0.178723D+01
                86            87            88            89            90 
      1   0.178940D+01  0.178723D+01 -0.583527D+01  0.148334D+01  0.955819D-01
      2   0.631993D+01  0.314454D+00  0.148334D+01  0.144852D+01 -0.302459D+01
      3   0.314454D+00 -0.318953D+01  0.955819D-01 -0.302459D+01  0.977574D+00
                91            92            93            94            95 
      1  -0.375844D+01  0.862469D+00  0.584724D+00 -0.147299D+01 -0.231459D+01
      2   0.862469D+00 -0.118393D+01 -0.520747D+00 -0.231459D+01  0.150947D+01
      3   0.584724D+00 -0.520747D+00 -0.222840D+01 -0.195427D+01 -0.418488D+01
                96            97            98            99           100 
      1  -0.195427D+01  0.440739D+01 -0.144460D+01 -0.504885D+01 -0.181305D+01
      2  -0.418488D+01 -0.144460D+01 -0.333285D+01 -0.620178D+00 -0.205960D+01
      3  -0.236791D+01 -0.504885D+01 -0.620178D+00 -0.744280D+00 -0.264347D+00
               101           102           103           104           105 
      1  -0.205960D+01 -0.264347D+00 -0.438946D+01 -0.226205D+01  0.215020D+01
      2  -0.107805D+01  0.258667D+00 -0.226205D+01 -0.234007D+01  0.255479D+01
      3   0.258667D+00  0.163052D+01  0.215020D+01  0.255479D+01 -0.144330D+01
               106           107           108           109           110 
      1  -0.312725D+00  0.966619D+00  0.178638D+01  0.534612D+01  0.371778D+01
      2   0.966619D+00  0.213773D+01 -0.577334D+00  0.371778D+01  0.229258D+01
      3   0.178638D+01 -0.577334D+00 -0.188219D+01 -0.151652D+01 -0.438689D+00
               111           112           113           114           115 
      1  -0.151652D+01  0.877619D+01  0.386523D+01 -0.184093D+01 -0.371180D+01
      2  -0.438689D+00  0.386523D+01  0.788425D+01 -0.170897D+01 -0.109543D+01
      3   0.546289D+00 -0.184093D+01 -0.170897D+01  0.312367D+01  0.173701D+01
               116           117           118           119           120 
      1  -0.109543D+01  0.173701D+01 -0.104956D+01 -0.105343D+01  0.214676D+01
      2  -0.220551D+01  0.226709D+01 -0.105343D+01  0.367978D-02 -0.638547D+00
      3   0.226709D+01 -0.221035D+01  0.214676D+01 -0.638547D+00 -0.290630D+01
               121           122           123           124           125 
      1  -0.461204D+01  0.204820D+01  0.453083D+00  0.297365D+01 -0.934770D+00
      2   0.204820D+01 -0.498285D+01 -0.162681D+01 -0.934770D+00  0.227438D+00
      3   0.453083D+00 -0.162681D+01 -0.122645D+01 -0.307938D+01 -0.451728D+00
               126           127           128           129           130 
      1  -0.307938D+01 -0.173653D+01  0.138618D+01 -0.120952D+01  0.143270D+01
      2  -0.451728D+00  0.138618D+01 -0.987596D+00  0.954925D+00 -0.154561D+01
      3   0.332575D+01 -0.120952D+01  0.954925D+00 -0.121910D+01  0.113059D+01
               131           132           133           134           135 
      1  -0.154561D+01  0.113059D+01 -0.176437D+01  0.156402D+01 -0.125579D+01
      2   0.402151D+01 -0.276189D+01  0.156402D+01 -0.276027D+01  0.217527D+01
      3  -0.276189D+01  0.280708D+01 -0.125579D+01  0.217527D+01 -0.238691D+01
               136           137           138           139           140 
      1   0.308451D+01  0.194208D+01 -0.385050D+00  0.285124D+01  0.261367D+01
      2   0.194208D+01  0.201657D+01 -0.356198D+00  0.261367D+01  0.435844D+01
      3  -0.385050D+00 -0.356198D+00  0.515625D+00 -0.957196D+00 -0.144218D+01
               141           142           143           144           145 
      1  -0.957196D+00 -0.726366D+00 -0.786584D+00  0.438384D+00  0.181167D+01
      2  -0.144218D+01 -0.786584D+00 -0.186585D+01  0.757862D+00 -0.146391D+01
      3   0.121025D+01  0.438384D+00  0.757862D+00 -0.662808D+00  0.144060D+01
               146           147           148           149           150 
      1  -0.146391D+01  0.144060D+01 -0.143404D+01  0.172862D+01 -0.123091D+01
      2   0.137457D+01 -0.116096D+01  0.172862D+01 -0.510916D+01  0.296846D+01
      3  -0.116096D+01  0.131986D+01 -0.123091D+01  0.296846D+01 -0.268794D+01
               151           152           153           154           155 
      1   0.142794D+01 -0.160701D+01  0.115564D+01 -0.304872D+01 -0.238376D+01
      2  -0.160701D+01  0.326078D+01 -0.215268D+01 -0.238376D+01 -0.280719D+01
      3   0.115564D+01 -0.215268D+01  0.190010D+01  0.493481D+00  0.363331D+00
               156           157           158           159           160 
      1   0.493481D+00 -0.301081D+01 -0.317789D+01  0.988041D+00  0.437406D+00
      2   0.363331D+00 -0.317789D+01 -0.582653D+01  0.143871D+01  0.644707D+00
      3  -0.282600D+00  0.988041D+00  0.143871D+01 -0.102731D+01 -0.330322D+00
               161           162           163           164           165 
      1   0.644707D+00 -0.330322D+00 -0.258785D+01 -0.161769D+01 -0.329708D+00
      2   0.196603D+01 -0.690061D+00 -0.161769D+01 -0.159035D+01 -0.711191D+00
      3  -0.690061D+00  0.459218D+00 -0.329708D+00 -0.711191D+00 -0.744444D+00
               166           167           168           169           170 
      1  -0.416155D+01 -0.263705D+01 -0.134341D+01  0.161950D+01 -0.577776D+00
      2  -0.263705D+01 -0.683294D+01 -0.250539D+01 -0.577776D+00 -0.993291D+00
      3  -0.134341D+01 -0.250539D+01 -0.172995D+01 -0.787566D+00 -0.106466D+01
               171           172           173           174           175 
      1  -0.787566D+00 -0.124448D+01  0.682857D+00 -0.110230D+01  0.362050D+01
      2  -0.106466D+01  0.682857D+00 -0.389277D+00  0.369406D-01 -0.922120D+00
      3  -0.137974D+01 -0.110230D+01  0.369406D-01 -0.989548D+00  0.874579D+00
               176           177           178           179           180 
      1  -0.922120D+00  0.874579D+00 -0.218639D+01  0.254351D+00 -0.235998D+01
      2   0.562842D+00 -0.142664D+01  0.254351D+00 -0.106407D+01  0.118570D+01
      3  -0.142664D+01  0.287421D+01 -0.235998D+01  0.118570D+01 -0.805035D+01
               181           182           183           184           185 
      1  -0.107974D+02 -0.107257D+01 -0.361035D+01 -0.198939D+01 -0.153054D+01
      2  -0.107257D+01 -0.113304D+01 -0.172517D+00 -0.153054D+01  0.572536D-01
      3  -0.361035D+01 -0.172517D+00 -0.221336D+01 -0.104118D+00 -0.521059D+00
               186           187           188           189           190 
      1  -0.104118D+00 -0.535552D+01  0.339407D-01 -0.264116D+01 -0.265189D+00
      2  -0.521059D+00  0.339407D-01 -0.621222D+00 -0.709015D+00  0.965987D+00
      3  -0.792214D+00 -0.264116D+01 -0.709015D+00 -0.211536D+01 -0.389940D+00
               191           192           193           194           195 
      1   0.965987D+00 -0.389940D+00  0.103935D+01 -0.616603D+00  0.202013D+00
      2  -0.293643D+00 -0.154690D-01 -0.616603D+00  0.295261D+01 -0.214196D+01
      3  -0.154690D-01 -0.221072D+00  0.202013D+00 -0.214196D+01  0.243893D+01
               196           197           198           199           200 
      1  -0.110021D+01  0.565107D+00 -0.507432D+00  0.560358D+01  0.382904D+00
      2   0.565107D+00 -0.362478D+01  0.322283D+01  0.382904D+00  0.185457D+01
      3  -0.507432D+00  0.322283D+01 -0.525108D+01  0.158351D+01  0.458448D+00
               201           202           203           204           205 
      1   0.158351D+01  0.904647D+00  0.579698D+00  0.217881D+00  0.221203D+01
      2   0.458448D+00  0.579698D+00  0.949032D+00  0.358229D+00  0.229612D+00
      3   0.142915D+01  0.217881D+00  0.358229D+00  0.752365D+00  0.909947D+00
               206           207           208           209           210 
      1   0.229612D+00  0.909947D+00 -0.597522D+01  0.351519D+01  0.252431D+01
      2   0.108672D+01  0.109322D+01  0.351519D+01 -0.316535D+01 -0.129745D+01
      3   0.109322D+01  0.127917D+01  0.252431D+01 -0.129745D+01 -0.179311D+01
               211           212           213           214           215 
      1   0.250492D+01 -0.255243D+01 -0.106228D+01  0.351524D+01 -0.204873D+01
      2  -0.255243D+01  0.257538D+01  0.111668D+01 -0.204873D+01  0.216301D+01
      3  -0.106228D+01  0.111668D+01  0.118097D+01 -0.220292D+01  0.192610D+01
               216           217           218           219           220 
      1  -0.220292D+01  0.722788D+01  0.344875D+00  0.924826D+00  0.299718D+00
      2   0.192610D+01  0.344875D+00  0.767171D+00 -0.114158D+00  0.252399D+00
      3   0.191123D+01  0.924826D+00 -0.114158D+00  0.252952D+01  0.123230D+00
               221           222           223           224           225 
      1   0.252399D+00  0.123230D+00  0.210167D+00 -0.331875D-02  0.170090D+01
      2  -0.402944D+00  0.416886D+00 -0.331875D-02  0.559483D+00  0.147577D+00
      3   0.416886D+00  0.746165D+00  0.170090D+01  0.147577D+00  0.239722D+01
               226           227           228           229           230 
      1  -0.112406D+01 -0.122214D+01  0.674145D+00 -0.201290D+01 -0.208973D+01
      2  -0.122214D+01 -0.143301D+01  0.715701D-01 -0.208973D+01 -0.832877D+01
      3   0.674145D+00  0.715701D-01 -0.416172D+00  0.429793D+00  0.877313D+00
               231           232           233           234           235 
      1   0.429793D+00  0.205634D+00 -0.143506D+00 -0.245199D+00 -0.681820D+01
      2   0.877313D+00 -0.143506D+00 -0.520556D+00 -0.576848D+00  0.907891D+00
      3  -0.129979D+01 -0.245199D+00 -0.576848D+00 -0.422976D-01  0.424400D+01
               236           237           238           239           240 
      1   0.907891D+00  0.424400D+01  0.253268D+01 -0.137834D+01 -0.157794D+01
      2  -0.123737D+01 -0.474698D+00 -0.137834D+01  0.454171D+00  0.808821D+00
      3  -0.474698D+00 -0.329849D+01 -0.157794D+01  0.808821D+00  0.191365D+01
               241           242           243           244           245 
      1   0.389759D+01 -0.568180D+00 -0.335056D+01 -0.229145D+00 -0.156073D+01
      2  -0.568180D+00  0.582469D+00  0.773256D+00 -0.156073D+01  0.811919D+00
      3  -0.335056D+01  0.773256D+00  0.372072D+01  0.361153D+00 -0.377656D+00
               246           247           248           249           250 
      1   0.361153D+00 -0.277760D+01  0.140493D+01 -0.761921D+00  0.711917D+00
      2  -0.377656D+00  0.140493D+01 -0.434511D+01  0.193392D+01 -0.534547D+00
      3   0.703766D+00 -0.761921D+00  0.193392D+01 -0.193667D+01  0.135213D+01
               251           252           253           254           255 
      1  -0.534547D+00  0.135213D+01 -0.705265D+01 -0.149541D+01 -0.590098D+01
      2   0.205056D+01 -0.138458D+01 -0.149541D+01  0.686802D+00 -0.446281D+00
      3  -0.138458D+01  0.243396D+01 -0.590098D+01 -0.446281D+00  0.129863D+01
               256           257           258           259           260 
      1   0.267058D+01  0.227954D+01  0.114086D+01 -0.311099D+01  0.544141D+00
      2   0.227954D+01 -0.122438D+01  0.374662D+01  0.544141D+00  0.363021D+01
      3   0.114086D+01  0.374662D+01  0.266402D+01  0.270045D+01  0.121757D+01
               261           262           263           264           265 
      1   0.270045D+01  0.449446D+01 -0.146814D+01 -0.314162D+01  0.507291D+00
      2   0.121757D+01 -0.146814D+01  0.119521D+01  0.940255D+00  0.514786D+00
      3  -0.650730D+00 -0.314162D+01  0.940255D+00  0.296480D+01 -0.472375D+00
               266           267           268           269           270 
      1   0.514786D+00 -0.472375D+00 -0.434897D+01  0.140153D+01  0.427692D+01
      2  -0.681160D+00 -0.453968D+00  0.140153D+01 -0.158131D+01 -0.155934D+01
      3  -0.453968D+00  0.375328D+00  0.427692D+01 -0.155934D+01 -0.538625D+01
               271           272           273           274           275 
      1   0.272460D+00  0.755229D+00  0.125813D+00  0.153626D+01  0.654683D-01
      2   0.755229D+00 -0.703911D+00 -0.146171D-01  0.654683D-01  0.575384D+01
      3   0.125813D+00 -0.146171D-01 -0.387382D+00  0.280989D+00 -0.501124D+00
               276           277           278           279           280 
      1   0.280989D+00 -0.851988D+00 -0.125516D+00 -0.516653D+00  0.110339D+02
      2  -0.501124D+00 -0.125516D+00 -0.202120D+01  0.294522D+00  0.205232D+01
      3   0.137621D+01 -0.516653D+00  0.294522D+00 -0.115689D+01  0.509190D+01
               281           282           283           284           285 
      1   0.205232D+01  0.509190D+01  0.431983D+00  0.104345D+01  0.230636D+00
      2   0.154299D+01  0.127447D+01  0.104345D+01  0.607143D+00  0.369777D+00
      3   0.127447D+01  0.351724D+01  0.230636D+00  0.369777D+00 -0.117658D+00
               286           287           288           289           290 
      1   0.369798D+01  0.734970D+00  0.269540D+01 -0.177696D+01  0.169066D+00
      2   0.734970D+00  0.314277D+00  0.650587D+00  0.169066D+00 -0.933549D+00
      3   0.269540D+01  0.650587D+00  0.279768D+01  0.215564D+01 -0.592468D+00
               291           292           293           294           295 
      1   0.215564D+01 -0.535990D+00 -0.478057D+00 -0.893128D-01  0.215598D+01
      2  -0.592468D+00 -0.478057D+00  0.180824D+00  0.321070D+00 -0.817158D-01
      3  -0.346630D+01 -0.893128D-01  0.321070D+00 -0.759901D+00 -0.160440D+01
               296           297 
      1  -0.817158D-01 -0.160440D+01
      2   0.727794D+00  0.652569D+00
      3   0.652569D+00  0.609107D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.109956D+01  0.334950D+01 -0.273401D+00  0.527324D+01  0.767355D+00
      2   0.460598D+01 -0.432451D+01  0.445043D+01 -0.991957D+00 -0.538761D+01
      3  -0.138638D+02 -0.721757D+01  0.243532D+01 -0.149118D+01 -0.216852D+01
                 6             7             8             9            10 
      1  -0.228819D+01  0.515247D+01  0.277280D+01  0.125287D+01 -0.402576D+01
      2   0.202298D+01 -0.118331D+02 -0.319959D+01  0.997950D+00 -0.688819D+01
      3   0.125394D+01  0.553157D+01  0.113438D+01 -0.569645D+00  0.188463D+02
                11            12            13            14            15 
      1  -0.214632D+01  0.501708D+00 -0.937308D+01  0.498705D+01 -0.123062D+01
      2   0.126720D+01 -0.234368D+01  0.693900D+01  0.424451D+01 -0.197852D+01
      3   0.132730D+01  0.154558D+01  0.193745D+02  0.238993D+01  0.181975D+01
                16            17            18            19            20 
      1   0.279685D+01  0.646902D+01 -0.570839D+01 -0.153719D+00 -0.117373D+01
      2  -0.148165D+02 -0.193061D+01 -0.122856D+00  0.471237D+01 -0.389482D+00
      3  -0.190924D+01  0.137355D+01  0.122916D+01  0.702951D+01 -0.420226D+01
                21            22            23            24            25 
      1  -0.527016D-01 -0.172718D+01 -0.217955D+01 -0.287928D+01 -0.653152D+01
      2   0.110988D+01 -0.594151D+01  0.208398D+01 -0.884808D+00 -0.100332D+02
      3   0.283281D+01 -0.105852D+01  0.584305D+00 -0.160406D+01  0.949056D+01
                26            27            28            29            30 
      1   0.193777D+01 -0.394766D+01  0.224766D+01 -0.438124D+01  0.365309D+01
      2   0.156811D+01 -0.309676D+01  0.561030D+01  0.215337D+01  0.426920D+00
      3  -0.178571D+01  0.488024D+01 -0.147875D+02  0.432119D+00 -0.428062D+01
                31            32            33            34            35 
      1  -0.698761D+01  0.433822D+01 -0.822855D+00  0.759136D+01  0.677656D+01
      2   0.490581D+01  0.460212D+01  0.147532D+01 -0.104565D+02 -0.106023D+01
      3   0.212894D+02  0.378473D+01  0.206335D+01 -0.815143D+01  0.120961D+01
                36            37            38            39            40 
      1  -0.220000D+01 -0.352434D+01  0.112928D+01 -0.793621D+00  0.882280D+00
      2  -0.504611D+01  0.143895D+00 -0.432033D+01  0.371562D+01 -0.594899D+00
      3  -0.594117D+01  0.449400D+01 -0.405569D+01  0.551948D+01  0.131155D+02
                41            42            43            44            45 
      1   0.295693D+00 -0.233455D+01  0.359146D+01  0.120563D+01  0.470699D+01
      2  -0.435096D+01 -0.329080D+00 -0.966752D+01 -0.317664D+01  0.102739D+01
      3  -0.161322D+00  0.353244D+01  0.451100D+01  0.433470D+00  0.621528D+00
                46            47            48            49            50 
      1   0.479173D+01  0.100445D+01 -0.224145D+01 -0.485977D+01 -0.817691D+00
      2   0.704626D+01 -0.976391D+00  0.142912D+01 -0.819678D+01  0.218879D+01
      3  -0.627659D+01 -0.385367D+01 -0.209129D+01  0.998176D+01 -0.704021D+00
                51            52            53            54            55 
      1  -0.395438D+01 -0.642361D+01  0.268773D+01 -0.145840D+01  0.263158D+01
      2   0.101671D+00 -0.675079D+01  0.298844D+01 -0.293323D+01  0.219517D+02
      3   0.147116D+01 -0.569713D+01 -0.314655D+01  0.114598D+01 -0.157792D+02
                56            57            58            59            60 
      1  -0.503835D+00 -0.139508D+01 -0.356967D+01 -0.671257D+01 -0.693679D+01
      2  -0.484500D+01 -0.385445D+01 -0.975116D+01 -0.100306D+01  0.116942D+02
      3   0.540794D+01  0.354873D+01  0.230746D+02  0.138536D+02  0.653646D+01
                61            62            63            64            65 
      1  -0.176464D+01 -0.120109D+01  0.726514D+01 -0.243706D+01 -0.501394D-01
      2  -0.258797D+02  0.108625D+02 -0.108658D+02 -0.332477D+02  0.470438D+01
      3   0.840127D+01  0.226711D+01 -0.114059D+02  0.190005D+02 -0.912193D+01
                66            67            68            69            70 
      1   0.440516D+00  0.431559D+01  0.598560D+00 -0.380195D+01 -0.229815D+00
      2   0.318522D+01  0.114216D+02  0.108620D+01 -0.147490D+02  0.464798D+01
      3  -0.284382D+01 -0.381534D+01 -0.211468D+02 -0.434076D+01 -0.123563D+02
                71            72            73            74            75 
      1   0.323182D+01 -0.470449D+00  0.924222D+01 -0.273875D+01 -0.896938D+00
      2  -0.164152D+02  0.794515D+01  0.202335D+02 -0.442950D+01  0.798158D+00
      3  -0.554454D+01  0.167987D+02 -0.168789D+02 -0.276691D+01 -0.437592D+01
                76            77            78            79            80 
      1  -0.187712D+01 -0.259950D+01  0.631878D+01 -0.309119D+01  0.128985D+02
      2  -0.384120D+01 -0.333389D+01  0.134843D+02 -0.542750D+01  0.174161D+02
      3  -0.232577D+01  0.168480D+02  0.575356D+01 -0.484151D+01  0.883221D+01
                81            82            83            84            85 
      1  -0.612346D+01 -0.554485D+01  0.288154D+01  0.239999D+01  0.519616D+01
      2  -0.107751D+02  0.255489D+02 -0.229548D+01  0.786997D+01 -0.530542D+01
      3  -0.175028D+02 -0.825139D+01  0.508165D+01  0.829004D+01  0.113060D+02
                86            87            88            89            90 
      1   0.115489D+02 -0.472431D+01  0.310897D+01  0.147272D+01 -0.439556D+01
      2  -0.314165D+01  0.118899D+02  0.648643D+01  0.116015D+02 -0.515697D+01
      3   0.259538D+02  0.554330D+00  0.117319D+02  0.569231D+01 -0.136574D+02
                91            92            93            94            95 
      1  -0.163725D+01 -0.213759D+01 -0.387839D+00 -0.523391D+01  0.147728D+01
      2   0.118434D+02 -0.134037D+01 -0.170578D+01 -0.353754D+01 -0.106827D+02
      3  -0.133146D+01 -0.985054D+00  0.134230D+01  0.143713D+02 -0.556079D+01
                96            97            98            99           100 
      1  -0.846508D+01  0.139736D+01  0.180023D-01  0.123141D+00  0.192900D+01
      2  -0.447605D+01 -0.290566D+02 -0.174201D+01  0.116210D+01 -0.230308D+02
      3   0.140316D+02  0.349386D+01  0.117503D+02  0.317130D+01  0.491212D+01
               101           102           103           104           105 
      1   0.623610D+01  0.247766D+01  0.350045D+01  0.201179D+01  0.520946D+01
      2   0.301936D+01  0.887197D+01  0.882122D+01  0.883275D+01 -0.726457D+01
      3   0.753961D+00 -0.140346D+01  0.755049D+01  0.121782D+02 -0.104057D+02
               106           107           108           109           110 
      1  -0.106352D+01  0.458616D+01  0.625200D-01 -0.138573D+01 -0.307010D+01
      2  -0.140034D+01 -0.282201D+01  0.664510D+01  0.106991D+01 -0.137737D+01
      3  -0.937580D+00 -0.169458D+02  0.689127D+00 -0.104962D+02 -0.113501D+02
               111           112           113           114           115 
      1  -0.300076D+01 -0.101988D+00 -0.533714D+01 -0.714987D+01 -0.805112D+00
      2   0.508259D+01 -0.892742D+01 -0.779548D+01  0.132516D+02  0.649905D+01
      3   0.144187D+01 -0.572524D+01 -0.327324D+02  0.586089D+01 -0.581191D+00
               116           117           118           119           120 
      1   0.327859D+01  0.142541D+01  0.299371D+01 -0.852807D+00 -0.110352D+01
      2   0.918331D+01 -0.124607D+02  0.964943D+01 -0.367046D+01 -0.745849D+01
      3   0.118471D+02 -0.851757D+01  0.478950D+01 -0.210177D+01  0.390231D+00
               121           122           123           124           125 
      1   0.261891D+01  0.369123D+01 -0.693880D+01 -0.228344D+01  0.163623D+01
      2   0.214014D+01 -0.508699D+01 -0.590848D+01 -0.987932D+01 -0.239625D+01
      3  -0.452574D+00  0.198910D+02  0.413563D+01  0.274000D+01  0.134520D+01
               126           127           128           129           130 
      1   0.294297D+01 -0.854293D+00  0.948982D+00  0.962936D+00  0.132389D+01
      2   0.935722D+01 -0.301500D+01  0.106378D+01 -0.724473D-01  0.212748D+01
      3   0.505084D+01 -0.303130D+01  0.484978D+00 -0.498175D+00  0.254588D+01
               131           132           133           134           135 
      1  -0.329928D+01 -0.131109D+01 -0.132992D+01  0.396217D+01 -0.180691D+00
      2   0.286311D+00 -0.178102D+01 -0.390099D+01  0.251792D+00  0.100686D+01
      3   0.150848D+01 -0.649128D+00 -0.213210D+01 -0.882972D+00  0.201079D+00
               136           137           138           139           140 
      1  -0.158367D+01 -0.235366D+01 -0.157304D+01 -0.120699D+01 -0.160304D+01
      2   0.346249D+01  0.164226D+01  0.811487D+00  0.265892D+01  0.142877D+01
      3   0.502753D+01  0.342300D+00 -0.292370D+00  0.503881D+01 -0.108293D+01
               141           142           143           144           145 
      1  -0.276091D+01 -0.300679D+00  0.181511D+01  0.102218D-01  0.169746D+01
      2   0.132690D+01 -0.971128D+00 -0.389450D+00 -0.624022D+00 -0.115840D+01
      3  -0.117922D+00  0.484602D+00  0.126731D+01  0.250804D+00 -0.435223D+01
               146           147           148           149           150 
      1  -0.566215D+00  0.267091D+01 -0.756213D+00  0.432549D+00 -0.453121D+01
      2   0.154400D+00  0.505486D+00  0.916803D+00  0.647577D+00 -0.198413D+01
      3   0.922379D+00 -0.188560D+01  0.363282D+01  0.118702D+00  0.838116D+00
               151           152           153           154           155 
      1   0.585002D+00  0.141836D+01  0.201016D+01  0.653683D+00 -0.643671D+00
      2  -0.254694D+01 -0.116626D+00  0.674937D+00  0.138011D+01  0.566473D+00
      3  -0.333640D+01  0.668594D+00 -0.123198D+01  0.619017D+01  0.566763D+00
               156           157           158           159           160 
      1  -0.189551D+01  0.175545D+01  0.165550D+01 -0.399433D+01 -0.211883D+00
      2   0.103561D+01  0.134076D+00  0.199081D+00  0.181382D+01 -0.127105D+01
      3  -0.787185D+00  0.562806D+01 -0.128676D+01 -0.524131D+00  0.205476D+00
               161           162           163           164           165 
      1   0.801043D+00  0.815797D+00  0.192339D+01  0.191663D+01 -0.162266D+00
      2   0.177369D+00 -0.651410D+00 -0.304865D+01 -0.864159D-01  0.319948D+01
      3   0.122911D+01  0.102698D-01 -0.435476D+01 -0.553687D+01 -0.207247D+01
               166           167           168           169           170 
      1   0.254967D+01  0.890100D+01 -0.525388D+00  0.598680D+00  0.185285D+01
      2  -0.141644D+01  0.370762D+01  0.432232D+01  0.261959D+01  0.202552D+01
      3  -0.261567D+01 -0.210755D+02 -0.746351D+01 -0.330848D+01 -0.301140D+01
               171           172           173           174           175 
      1   0.144771D-02 -0.168811D+01  0.903750D+00 -0.445543D+00  0.156683D+01
      2   0.352390D+01  0.242785D+01  0.521927D+00  0.290776D+01  0.251155D+01
      3  -0.256976D+01  0.428245D+01 -0.316623D+01  0.105415D+01 -0.357078D+01
               176           177           178           179           180 
      1  -0.246799D+01  0.272195D+01 -0.170919D+01  0.542802D+01 -0.649620D+01
      2   0.315857D+01 -0.865438D+01  0.202758D+01 -0.335629D+01  0.230529D+02
      3   0.226141D+01 -0.545075D+01  0.191901D+01 -0.431231D+01  0.653530D+01
               181           182           183           184           185 
      1   0.312378D+00  0.117286D+01 -0.309880D-01  0.211845D+00  0.577912D-01
      2   0.872588D+01  0.301351D-01  0.109838D+02 -0.124408D+01  0.136029D+01
      3  -0.366262D+01 -0.823510D+01 -0.347630D+00 -0.460311D+01  0.794427D+00
               186           187           188           189           190 
      1  -0.744980D+00 -0.815186D-01  0.160957D+01  0.223886D+00  0.382385D+00
      2   0.374352D+01  0.564787D+01  0.357119D+01  0.801146D+01  0.167080D+01
      3  -0.210052D+01  0.144681D+01 -0.325826D+01 -0.322012D+01  0.507491D+01
               191           192           193           194           195 
      1   0.788082D-01  0.100669D+00 -0.198998D+00  0.302824D+01 -0.675169D+01
      2   0.255702D+00  0.117376D+01  0.269567D+00  0.794453D+01 -0.921756D+01
      3  -0.187646D+00 -0.689301D+00  0.153696D+01  0.107921D+02 -0.879772D+01
               196           197           198           199           200 
      1   0.302799D+00 -0.317322D+01  0.116986D+02 -0.285896D+01 -0.149242D+00
      2  -0.123932D+01 -0.117969D+02  0.201785D+02 -0.852100D+01 -0.188182D+01
      3  -0.126593D+01 -0.146238D+02  0.132470D+02  0.191105D+02  0.690946D+01
               201           202           203           204           205 
      1  -0.374362D+01 -0.392267D+00 -0.846398D+00 -0.228973D+01 -0.245629D+01
      2  -0.436090D+01 -0.843957D+00 -0.158183D+01 -0.218772D+01 -0.608564D+01
      3   0.585628D+01  0.701121D+01  0.410367D+01  0.241045D+01  0.602265D+01
               206           207           208           209           210 
      1  -0.475250D+00 -0.249478D+01 -0.554279D+01  0.180889D+01  0.510644D+01
      2  -0.386148D+01 -0.417681D+01 -0.996165D+01  0.524836D+01  0.935841D+01
      3   0.430106D+01  0.682173D+01  0.289230D+01 -0.929454D+01 -0.478261D+00
               211           212           213           214           215 
      1   0.280526D+01 -0.206086D+01 -0.398961D+01  0.464029D+01 -0.219720D+01
      2   0.358816D+01 -0.461535D+01 -0.564845D+01  0.738371D+01 -0.779888D+01
      3  -0.329629D+01  0.658918D+01  0.235475D+01 -0.286020D+00  0.644482D+01
               216           217           218           219           220 
      1  -0.454375D+01 -0.789756D-01  0.246824D+01  0.138862D+01  0.122041D+01
      2  -0.863474D+01 -0.212265D+02  0.245970D+00 -0.116413D+02 -0.173770D+00
      3   0.442295D+01 -0.538042D+01  0.189143D+01 -0.154153D+01  0.344952D+01
               221           222           223           224           225 
      1  -0.183905D+00 -0.216040D+00  0.149133D+01  0.206973D+01  0.161976D+01
      2  -0.235595D+01 -0.306606D+01 -0.111716D+02 -0.712415D+00 -0.123271D+02
      3  -0.202649D+01  0.130438D+01 -0.525919D+00  0.108385D+01 -0.116462D+01
               226           227           228           229           230 
      1  -0.977971D+00 -0.197269D+01 -0.573222D+00 -0.217201D+01 -0.119653D+02
      2  -0.273521D+01  0.873778D+00  0.155590D+01  0.824566D+00 -0.278760D+01
      3  -0.467990D+01 -0.557756D+01 -0.217231D+00 -0.330703D+01 -0.347076D+02
               231           232           233           234           235 
      1  -0.337271D+01 -0.169870D+00 -0.797667D-01 -0.103144D+01  0.464146D+01
      2   0.589996D+01 -0.762089D+00  0.223294D+01  0.835472D+00 -0.894175D+01
      3   0.307659D+01 -0.615627D+00 -0.236135D+01 -0.216544D+01  0.839432D+01
               236           237           238           239           240 
      1  -0.380364D+01 -0.287091D+01 -0.293424D+01  0.187431D+01  0.115995D+01
      2   0.568201D+00  0.111979D+02  0.297442D+01 -0.187842D+01 -0.736918D+01
      3  -0.853254D+01 -0.480285D+01 -0.685139D+01  0.341547D+01  0.413541D+01
               241           242           243           244           245 
      1  -0.392287D+01  0.330079D+01  0.343723D+01 -0.204858D+01  0.105818D+01
      2   0.648550D+01 -0.243304D+01 -0.131358D+02  0.139384D+01  0.229805D+00
      3  -0.524917D+01  0.414708D+01  0.561014D+01  0.530294D+01 -0.254553D+01
               246           247           248           249           250 
      1  -0.236904D+00  0.997438D+00 -0.510208D+01 -0.669667D+00 -0.699340D+00
      2   0.263794D+01  0.636939D+00  0.476894D+01 -0.479761D+01  0.164301D+01
      3   0.150091D+01  0.335810D+00  0.129666D+02 -0.549187D+01  0.108179D+01
               251           252           253           254           255 
      1   0.318515D+01 -0.433947D+00  0.396828D+01  0.375310D+01 -0.371239D+01
      2  -0.346854D+01  0.562985D+01 -0.466719D+01  0.116765D+01  0.180623D+02
      3  -0.644034D+01  0.373814D+01 -0.431037D+01 -0.702211D+01 -0.631456D+01
               256           257           258           259           260 
      1   0.435166D+01 -0.966062D+01  0.428342D+01 -0.976332D+00  0.939356D+01
      2   0.185417D+01  0.920027D+01  0.672364D+01  0.146572D+02  0.369247D+01
      3  -0.765050D+01  0.619600D+01 -0.133614D+02 -0.756365D+01 -0.121700D+02
               261           262           263           264           265 
      1   0.571269D+01 -0.268923D+01 -0.652192D+00  0.293705D+01  0.766577D-01
      2  -0.641936D+01 -0.846303D+01  0.354328D+01  0.102848D+02 -0.157305D+01
      3  -0.244735D+01  0.115506D+01 -0.412968D+01 -0.611961D+00 -0.115867D+01
               266           267           268           269           270 
      1  -0.920611D+00 -0.210471D+00  0.393817D+01  0.663412D+00 -0.503223D+01
      2  -0.150271D+01  0.153223D+01  0.123530D+02 -0.524002D+01 -0.198308D+02
      3   0.135090D+01  0.145406D+01 -0.927290D+00  0.560770D+01  0.195641D+01
               271           272           273           274           275 
      1   0.245829D+01 -0.172183D+01  0.144600D+01 -0.988662D+00  0.133751D+02
      2   0.141774D+00 -0.105559D+01 -0.103146D+01 -0.143967D+01 -0.135291D+01
      3  -0.361115D+01  0.274769D+01 -0.659730D+00  0.408290D+01 -0.173070D+02
               276           277           278           279           280 
      1  -0.608355D+01  0.140184D+01 -0.406969D+01  0.479439D+01 -0.133375D+01
      2   0.328017D+01 -0.171091D+01  0.905600D+00 -0.267805D+01 -0.523888D+01
      3   0.239588D+01 -0.276614D+01  0.644241D+01 -0.206860D+01  0.495264D+01
               281           282           283           284           285 
      1   0.335284D+01 -0.181900D+01  0.174216D+01  0.144236D+01 -0.534669D+00
      2   0.782868D+00  0.455881D+01 -0.211438D+00 -0.943488D+00 -0.431575D+00
      3  -0.579132D+01  0.729084D+00 -0.145700D+01 -0.158327D+01 -0.250324D+00
               286           287           288           289           290 
      1  -0.167382D+01  0.112432D+01 -0.210684D+01 -0.260775D+01 -0.314549D+01
      2  -0.106539D+00  0.538890D+00  0.473493D+01  0.123598D+02 -0.137948D+01
      3   0.219724D+01 -0.142987D+01  0.625620D+00 -0.349868D+01  0.174315D+01
               291           292           293           294           295 
      1   0.312311D+01 -0.184249D+01 -0.393102D+00  0.164683D+00  0.221964D+01
      2  -0.130904D+02  0.126588D+01  0.206031D+01 -0.183425D+01 -0.115282D+02
      3   0.403992D+01  0.209818D+01 -0.944124D+00 -0.590606D+00  0.319338D+01
               296           297 
      1   0.266356D+01 -0.581221D+01
      2   0.180761D+01  0.203175D+02
      3  -0.116419D+01 -0.454399D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.285689D+01  0.158051D+02 -0.554901D+01 -0.264453D+02  0.148191D+02
      2   0.627245D+01 -0.141105D+02  0.741700D+01  0.172367D+02 -0.416117D+01
      3  -0.341557D+01 -0.169455D+01 -0.186799D+01  0.920861D+01 -0.106579D+02
      4   0.126221D+02  0.454233D+01  0.590013D+01  0.156161D+02 -0.200968D+00
      5  -0.884001D+01  0.778920D+01 -0.618524D+01 -0.661765D+01 -0.277533D+01
      6   0.880720D+01  0.229018D+01  0.300159D+00 -0.498997D+01  0.899566D+01
                 6             7             8             9            10 
      1  -0.127753D+02  0.100535D+02  0.391051D+01 -0.107882D+02  0.570992D+02
      2   0.717111D+01 -0.761216D+01  0.186633D+01 -0.102686D+02 -0.303435D+02
      3   0.560418D+01 -0.244131D+01 -0.577684D+01  0.210568D+02 -0.267556D+02
      4  -0.279521D+01  0.891772D+01 -0.710924D+01  0.350444D+01 -0.263536D+01
      5  -0.185030D+01  0.435306D+01  0.345586D+01 -0.213481D+01  0.544640D+01
      6  -0.588922D+01  0.636510D+01 -0.104404D+01  0.368782D+01  0.534628D+00
                11            12            13            14            15 
      1  -0.264283D+01  0.489172D+01 -0.110746D+02 -0.169616D+02  0.620285D+01
      2   0.651318D+01 -0.498997D+01  0.317887D+01  0.126471D+02 -0.117551D+02
      3  -0.387035D+01  0.982597D-01  0.789576D+01  0.431455D+01  0.555222D+01
      4   0.667137D+01 -0.481781D+01 -0.133274D+02  0.326649D+01  0.277733D+00
      5  -0.412588D+01  0.153369D+01  0.123859D+02 -0.633986D+00  0.189975D+01
      6   0.177642D+01 -0.779086D+00 -0.165095D+01 -0.484937D+01  0.524684D+01
                16            17            18            19            20 
      1  -0.132053D+01  0.770005D+01 -0.598355D+01  0.183636D+01 -0.160689D+02
      2  -0.188713D+01 -0.238359D+01 -0.195338D+01 -0.952531D+01  0.724719D+01
      3   0.320767D+01 -0.531646D+01  0.793693D+01  0.768895D+01  0.882170D+01
      4   0.147188D+02  0.365330D+01  0.942399D-01 -0.148222D+02 -0.706214D+01
      5   0.111373D+02  0.511344D+00  0.423238D+01  0.225549D+01 -0.354026D+01
      6   0.101265D+02  0.118359D+02  0.530181D+01 -0.603503D+01 -0.582716D+01
                21            22            23            24            25 
      1   0.131793D+02  0.176027D+02  0.164141D+01 -0.295771D+01 -0.112778D+02
      2  -0.165190D+01 -0.120798D+02 -0.118647D+01  0.356158D+01  0.115813D+02
      3  -0.115274D+02 -0.552293D+01 -0.454931D+00 -0.603878D+00 -0.303442D+00
      4  -0.111256D+01  0.728045D+01 -0.505814D+01  0.604806D+01 -0.936202D+01
      5   0.753726D+01  0.303874D+01  0.713757D+01 -0.214796D+01  0.755750D+01
      6   0.150787D+01  0.128091D+02  0.848660D+01  0.495094D+01 -0.787410D+01
                26            27            28            29            30 
      1  -0.146810D+02 -0.447353D+00  0.889320D+01  0.353934D+01  0.183964D+01
      2   0.150078D+02 -0.531064D+01 -0.832555D+01 -0.418847D+01 -0.258850D+01
      3  -0.326879D+00  0.575800D+01 -0.567649D+00  0.649138D+00  0.748861D+00
      4  -0.675977D+00 -0.318521D+01 -0.117362D+01  0.608952D+01 -0.152723D+01
      5  -0.186809D+01 -0.513201D+01  0.453142D+01 -0.116338D+01  0.389612D+01
      6  -0.188168D+00 -0.446763D+00  0.748553D+01  0.214644D+01 -0.209661D+01
                31            32            33            34            35 
      1  -0.784334D+01 -0.163383D+02  0.491895D+01 -0.552698D+01  0.841327D+01
      2  -0.175676D+01  0.941627D+01 -0.128445D+02  0.667621D+00 -0.638957D+01
      3   0.960011D+01  0.692208D+01  0.792555D+01  0.485936D+01 -0.202370D+01
      4  -0.118936D+02 -0.178162D+01  0.713713D+00  0.164599D+02  0.323166D+01
      5   0.130488D+02  0.120865D+01  0.573261D+01  0.127941D+02  0.196717D+01
      6  -0.630573D+01 -0.674324D+01  0.379090D+01  0.395676D+01  0.998680D+01
                36            37            38            39            40 
      1  -0.328182D+01  0.830532D+01  0.226937D+02 -0.267796D+01 -0.161388D+02
      2  -0.604726D+00  0.294590D+01 -0.224938D+02  0.562041D+01  0.141064D+02
      3   0.388654D+01 -0.112512D+02 -0.199882D+00 -0.294245D+01  0.203233D+01
      4   0.156458D+01  0.803932D+01 -0.112150D+01  0.624764D+01  0.107423D+02
      5  -0.109658D+01 -0.776700D+01  0.889451D+01 -0.682987D+01 -0.365465D+00
      6   0.305497D+01  0.571161D+01 -0.305350D+01 -0.910039D+00 -0.831740D+01
                41            42            43            44            45 
      1   0.624643D+01 -0.103430D+02  0.679638D+01 -0.191595D+01 -0.863547D+01
      2   0.371439D+01  0.103723D+02 -0.982527D+01  0.717257D+01 -0.617956D+01
      3  -0.996082D+01 -0.292845D-01  0.302889D+01 -0.525663D+01  0.148150D+02
      4   0.127521D+01 -0.463098D+01  0.459092D+01 -0.109547D+02  0.432885D+01
      5  -0.406620D+01 -0.334677D+01  0.842676D+01  0.440192D+01 -0.147885D+01
      6   0.124675D+02 -0.639059D+01  0.570513D+01  0.170632D+01 -0.132376D+01
                46            47            48            49            50 
      1  -0.923378D+00 -0.177030D+02  0.802184D+01  0.247625D+02 -0.552266D+01
      2  -0.771268D+01  0.974387D+01 -0.400256D+01 -0.193142D+02  0.445324D+01
      3   0.863606D+01  0.795914D+01 -0.401928D+01 -0.544834D+01  0.106942D+01
      4  -0.111448D+02 -0.967446D+01 -0.891218D+00  0.164869D+01 -0.637061D+01
      5  -0.358795D+01 -0.358729D+01  0.919989D+01  0.790332D+01  0.559570D+01
      6  -0.364851D+01 -0.806513D+01  0.549642D+01  0.108444D+02  0.124362D+02
                51            52            53            54            55 
      1  -0.237535D+01 -0.276178D+02 -0.213370D+02  0.681189D+00 -0.478522D+02
      2   0.442026D+01  0.166718D+02  0.228854D+02 -0.247275D+01  0.202351D+02
      3  -0.204491D+01  0.109459D+02 -0.154847D+01  0.179156D+01  0.276171D+02
      4   0.587847D+01 -0.868518D+01  0.154637D+01  0.851230D+00  0.118892D+02
      5   0.161869D+00  0.106203D+02 -0.150191D+01 -0.372996D+01  0.178072D+02
      6   0.661746D+01 -0.383827D+01  0.577674D+01  0.527997D+00  0.142966D+01
                56            57            58            59            60 
      1   0.100651D+02  0.131229D+02  0.263026D+02 -0.402912D+01 -0.103757D+02
      2  -0.490529D+01 -0.626255D+01 -0.209832D+02 -0.374902D+01 -0.623904D+01
      3  -0.515980D+01 -0.686031D+01 -0.531942D+01  0.777814D+01  0.166148D+02
      4  -0.163566D+02 -0.628317D+01 -0.258601D+02 -0.382536D+02 -0.166426D+02
      5  -0.682466D+01 -0.108545D+02 -0.100684D+02 -0.158979D+02  0.196127D+02
      6  -0.326260D+01 -0.143045D+01 -0.113991D+02 -0.138525D+02 -0.623190D+01
                61            62            63            64            65 
      1   0.388903D+02 -0.110311D+02  0.361844D+01 -0.401013D+02 -0.231692D+02
      2  -0.108450D+02 -0.274586D+01  0.141816D+02  0.247180D+02  0.962896D+01
      3  -0.280453D+02  0.137770D+02 -0.178000D+02  0.153833D+02  0.135402D+02
      4  -0.100114D+02 -0.678560D+01  0.150697D+02 -0.247553D+02  0.128994D+02
      5  -0.198669D+02  0.150494D+02 -0.320739D+02 -0.583519D+02  0.508935D+01
      6  -0.143602D+01 -0.338486D+01  0.559455D+01  0.571267D+00  0.537891D+00
                66            67            68            69            70 
      1  -0.542494D+02 -0.423113D+02  0.112796D+02  0.545085D+01 -0.852172D+02
      2   0.263104D+02  0.257463D+02 -0.121533D+02 -0.529584D+01  0.414672D+02
      3   0.279390D+02  0.165650D+02  0.873707D+00 -0.155018D+00  0.437499D+02
      4   0.601843D+01  0.834644D+01  0.398360D+02  0.618264D+01  0.138245D+02
      5  -0.445062D+01  0.940625D+01  0.489430D+01 -0.284378D+02 -0.826816D+01
      6   0.106206D+01  0.171227D+01 -0.338536D+00 -0.367189D+00 -0.330500D+01
                71            72            73            74            75 
      1   0.930036D+01 -0.140727D+02  0.881467D+01  0.259482D+02  0.381803D+02
      2  -0.645335D+01  0.105166D+02 -0.122115D+02 -0.885390D+01 -0.170783D+02
      3  -0.284700D+01  0.355607D+01  0.339682D+01 -0.170943D+02 -0.211019D+02
      4   0.117606D+02 -0.302474D+02  0.248685D+02 -0.243293D+02 -0.223831D+02
      5  -0.306559D+02  0.135053D+02  0.382825D+02 -0.137876D+02 -0.482667D+01
      6   0.126864D+01  0.260469D+01 -0.186398D+02  0.447041D+01 -0.240134D+00
                76            77            78            79            80 
      1   0.278846D+02 -0.162676D+02 -0.118963D+02  0.481808D+02 -0.206012D+02
      2  -0.122488D+02  0.204472D+02  0.766437D+01 -0.206437D+02  0.117921D+02
      3  -0.156358D+02 -0.417959D+01  0.423190D+01 -0.275371D+02  0.880905D+01
      4  -0.178502D+02 -0.182756D+02 -0.456844D+01 -0.284673D+02 -0.611445D+01
      5  -0.989056D+01 -0.466324D+01  0.283062D+02 -0.102374D+02  0.367233D+02
      6   0.351617D+01  0.542067D+01 -0.149370D+02  0.514537D+01 -0.171814D+02
                81            82            83            84            85 
      1   0.557425D+01  0.716746D+01  0.169481D+02  0.490456D+02  0.253307D+02
      2  -0.109079D+02  0.117497D+02 -0.122909D+02 -0.248698D+02 -0.214089D+02
      3   0.533363D+01 -0.189171D+02 -0.465714D+01 -0.241759D+02 -0.392178D+01
      4   0.371439D+02  0.187700D+02 -0.102913D+02 -0.527809D+01 -0.149482D+02
      5  -0.221611D+02  0.438950D+02 -0.106148D+02 -0.207634D+02 -0.212864D+02
      6   0.119392D+02 -0.321798D+01  0.235392D+01  0.308056D+01  0.323883D+01
                86            87            88            89            90 
      1  -0.109375D+02 -0.121629D+02  0.530815D+02 -0.751820D+01 -0.707811D+01
      2  -0.925157D+01  0.130182D+02 -0.281192D+02  0.997898D+01  0.382680D+01
      3   0.201891D+02 -0.855298D+00 -0.249623D+02 -0.246078D+01  0.325131D+01
      4  -0.571279D+02 -0.296241D+01 -0.999060D+01 -0.127431D+02  0.255686D+02
      5   0.696158D+00  0.286879D+02 -0.160241D+02  0.264666D+02 -0.490201D+01
      6   0.985505D+01  0.356307D+01  0.525645D+01  0.411388D+01 -0.943681D+01
                91            92            93            94            95 
      1   0.359994D+01  0.925546D+01  0.170475D+02  0.541512D+01  0.538013D+01
      2  -0.371232D+01 -0.458673D+01 -0.518921D+01  0.816341D+00  0.238113D+01
      3   0.112382D+00 -0.466873D+01 -0.118583D+02 -0.623147D+01 -0.776127D+01
      4   0.821100D+01 -0.428807D+01 -0.633799D+00 -0.127496D+02  0.120168D+02
      5   0.137453D+02 -0.522082D+00 -0.772493D+01 -0.100986D+02 -0.264829D+02
      6   0.738567D+00 -0.524560D+01 -0.936608D+00 -0.135490D+02  0.389411D+01
                96            97            98            99           100 
      1   0.363678D+01  0.311742D+02  0.997425D+00 -0.109039D+02 -0.546826D+01
      2   0.421137D+01 -0.128787D+02 -0.428042D+00  0.597689D+01 -0.289991D+00
      3  -0.784815D+01 -0.182955D+02 -0.569383D+00  0.492705D+01  0.575825D+01
      4  -0.259353D+02 -0.999023D+01 -0.213108D+02 -0.106944D+01 -0.147862D+02
      5  -0.947229D+01 -0.323557D+02 -0.883622D+00 -0.296895D+01  0.370532D+01
      6  -0.169190D+02 -0.431788D+01 -0.127383D+02 -0.516927D+01  0.131112D+01
               101           102           103           104           105 
      1  -0.105572D+02 -0.530326D+01 -0.290854D+02 -0.166301D+02  0.108051D+02
      2   0.523316D+01  0.108412D+01  0.187609D+02  0.202632D+01 -0.114157D+02
      3   0.532400D+01  0.421914D+01  0.103245D+02  0.146037D+02  0.610679D+00
      4  -0.166120D+02  0.285987D+01 -0.336731D+02 -0.189718D+02  0.203734D+02
      5   0.339354D+01  0.786144D+01  0.194242D+02  0.200610D+02 -0.165598D+02
      6   0.823885D+01 -0.730550D+00  0.985388D+01  0.376119D+01 -0.109608D+02
               106           107           108           109           110 
      1   0.908335D+01  0.594027D+01  0.152547D+02  0.471052D+02  0.258527D+02
      2  -0.226261D+00 -0.301784D+01 -0.931317D+01 -0.214326D+02 -0.969132D+01
      3  -0.885708D+01 -0.292242D+01 -0.594148D+01 -0.256725D+02 -0.161614D+02
      4   0.730146D+01  0.307197D+02 -0.638359D+01  0.357915D+02  0.300753D+02
      5   0.142136D+02 -0.602270D+01 -0.313307D+01 -0.180639D+02 -0.692753D+01
      6  -0.224409D+00 -0.580463D+01  0.662437D+00 -0.689908D+01 -0.592036D+01
               111           112           113           114           115 
      1  -0.109536D+02  0.480879D+02  0.134796D+02 -0.664065D+01 -0.189849D+02
      2   0.628433D+01 -0.210608D+02  0.571084D+01  0.483209D+01  0.122279D+02
      3   0.466929D+01 -0.270271D+02 -0.191904D+02  0.180855D+01  0.675700D+01
      4  -0.471110D+01  0.422024D+02  0.683822D+02 -0.151670D+02 -0.111352D+02
      5   0.125828D+02 -0.205739D+02 -0.153727D+02  0.273379D+02  0.216014D+02
      6   0.372465D+01 -0.707171D+01 -0.170228D+02  0.143846D+02  0.387169D+01
               116           117           118           119           120 
      1  -0.161316D+01  0.242809D+01 -0.731299D+00 -0.121152D+02  0.134036D+02
      2   0.894796D+00 -0.723980D+01  0.930166D+01  0.206587D+01 -0.123926D+02
      3   0.718367D+00  0.481171D+01 -0.857036D+01  0.100493D+02 -0.101101D+01
      4  -0.231567D+02  0.197328D+02 -0.996197D+01  0.958140D+01 -0.715392D+01
      5   0.190405D+02 -0.224919D+02  0.206860D+02 -0.396552D+01 -0.207237D+02
      6   0.142685D+02 -0.982860D+01 -0.224470D+01  0.308353D-01  0.310386D+01
               121           122           123           124           125 
      1  -0.245501D+02  0.364415D+01 -0.410533D+01  0.233316D+02 -0.109727D+02
      2   0.710564D+01  0.129927D+02  0.230187D+01 -0.191867D+02  0.531064D+01
      3   0.174445D+02 -0.166368D+02  0.180347D+01 -0.414492D+01  0.566204D+01
      4   0.307714D+02 -0.460371D+02 -0.131715D+02 -0.822517D+01 -0.100040D+01
      5   0.754566D+01 -0.104866D+02 -0.116515D+02 -0.259706D+02 -0.190601D+01
      6  -0.566002D+01  0.123362D+02  0.121960D+02  0.401614D+01  0.720445D+01
               126           127           128           129           130 
      1  -0.268001D+02  0.151267D+00  0.105323D+01 -0.286310D+01  0.309211D+01
      2   0.185812D+02 -0.896136D+00  0.227114D+00 -0.151266D+01 -0.242329D+01
      3   0.821892D+01  0.744869D+00 -0.128035D+01  0.437575D+01 -0.668814D+00
      4  -0.895085D+00 -0.686014D+01  0.688586D+01 -0.450821D+01  0.783628D+01
      5   0.287895D+02  0.455092D+01 -0.415538D+01  0.531328D+01 -0.427748D+01
      6   0.814797D+00 -0.472307D+01  0.490777D+01 -0.435195D+01  0.601644D+01
               131           132           133           134           135 
      1  -0.151140D+02  0.123512D+02 -0.819694D+00  0.896746D+01 -0.104884D+02
      2   0.110512D+02 -0.345792D+01 -0.957326D+00 -0.475725D+01  0.115324D+01
      3   0.406277D+01 -0.889330D+01  0.177702D+01 -0.421020D+01  0.933512D+01
      4  -0.111263D+02  0.646678D+01 -0.664457D+01  0.845267D+01 -0.679130D+01
      5   0.471969D+01 -0.460320D+01  0.524269D+01 -0.487659D+01  0.716529D+01
      6  -0.164011D+02  0.138587D+02 -0.554580D+01  0.121208D+02 -0.122457D+02
               136           137           138           139           140 
      1   0.270812D+01 -0.242942D+01  0.195466D+00 -0.235141D+01 -0.116915D+02
      2   0.167295D+01  0.541693D+01 -0.617903D+00  0.549422D+01  0.165555D+02
      3  -0.438106D+01 -0.298751D+01  0.422438D+00 -0.314281D+01 -0.486394D+01
      4   0.787815D+01  0.795211D+01 -0.171521D+01  0.102481D+02  0.128926D+02
      5  -0.479594D+01 -0.306123D+01  0.348318D+01 -0.597423D+01 -0.697856D+01
      6  -0.182036D+01 -0.225700D+01  0.233538D+01 -0.468478D+01 -0.876282D+01
               141           142           143           144           145 
      1   0.452756D+01  0.102866D+01  0.527740D+01 -0.302275D+01 -0.290368D+01
      2  -0.324593D+01 -0.183020D+01 -0.581898D+01  0.191561D+01  0.340732D+01
      3  -0.128163D+01  0.801540D+00  0.541573D+00  0.110714D+01 -0.503636D+00
      4  -0.349755D+01 -0.302405D+01 -0.293797D+01  0.262239D+01 -0.790790D+01
      5   0.538184D+01  0.333208D+01  0.311939D+01 -0.252853D+01  0.463411D+01
      6   0.640399D+01  0.273736D+01  0.506024D+01 -0.347249D+01 -0.633723D+01
               146           147           148           149           150 
      1   0.441927D+01 -0.430466D+01  0.615166D+01 -0.223844D+02  0.143318D+02
      2  -0.464595D+01  0.203969D+01 -0.695361D+01  0.250791D+02 -0.108303D+02
      3   0.226679D+00  0.226496D+01  0.801959D+00 -0.269477D+01 -0.350149D+01
      4   0.898837D+01 -0.589581D+01  0.856310D+01 -0.124907D+02  0.663762D+01
      5  -0.400164D+01  0.492687D+01 -0.391250D+01  0.339999D+01 -0.349855D+01
      6   0.659684D+01 -0.606009D+01  0.699265D+01 -0.196579D+02  0.153825D+02
               151           152           153           154           155 
      1  -0.461432D+01  0.142609D+02 -0.113174D+02  0.192231D+01 -0.367173D+01
      2   0.480784D+01 -0.141662D+02  0.695961D+01  0.704924D+01  0.126295D+02
      3  -0.193526D+00 -0.946823D-01  0.435774D+01 -0.897155D+01 -0.895774D+01
      4  -0.679021D+01  0.961172D+01 -0.661726D+01  0.148313D+02  0.155175D+02
      5   0.383018D+01 -0.362381D+01  0.466145D+01 -0.485136D+01 -0.361109D+01
      6  -0.583364D+01  0.137207D+02 -0.123653D+02 -0.147851D+01 -0.905543D+00
               156           157           158           159           160 
      1  -0.786811D+00 -0.166585D+01 -0.160109D+02  0.340206D+01  0.374552D+01
      2  -0.915518D+00  0.116470D+02  0.310217D+02 -0.526620D+01 -0.409094D+01
      3   0.170233D+01 -0.998119D+01 -0.150109D+02  0.186414D+01  0.345422D+00
      4  -0.274402D+01  0.171097D+02  0.239231D+02 -0.536034D+01 -0.301714D+01
      5   0.324945D+01 -0.658088D+01 -0.730662D+01  0.516520D+01  0.201573D+01
      6   0.259417D+01 -0.410576D+01 -0.774489D+01  0.626049D+01  0.262066D+01
               161           162           163           164           165 
      1   0.696132D+01 -0.287283D+01  0.130570D+02  0.733305D+01  0.281673D+00
      2  -0.101966D+02  0.317521D+01 -0.289397D+01 -0.212597D+01 -0.702994D+00
      3   0.323526D+01 -0.302377D+00 -0.101630D+02 -0.520708D+01  0.421322D+00
      4  -0.488469D+01  0.352048D+01  0.151240D+02  0.176391D+02  0.666034D+01
      5   0.371613D+01 -0.216583D+01  0.460179D+01  0.766094D+01  0.829291D+01
      6   0.477696D+01 -0.317623D+01  0.533590D+01  0.464775D+01  0.274505D+01
               166           167           168           169           170 
      1   0.133054D+02 -0.696757D+01 -0.261585D+01 -0.716472D+01 -0.125863D+01
      2  -0.192287D+01  0.173305D+02  0.276398D+01  0.242415D+01  0.480358D+00
      3  -0.113825D+02 -0.103630D+02 -0.148130D+00  0.474057D+01  0.778274D+00
      4   0.255247D+02  0.495857D+02  0.181860D+02  0.493283D+01  0.678064D+01
      5   0.130239D+02  0.177028D+02  0.126479D+02  0.732080D+01  0.717440D+01
      6   0.974424D+01  0.222452D+02  0.131042D+02  0.313835D+01  0.853133D+01
               171           172           173           174           175 
      1  -0.215034D+01  0.574139D+01 -0.365993D+01  0.540880D+01 -0.128032D+02
      2  -0.833064D+00 -0.738926D+01  0.232512D+01 -0.495264D+01  0.103515D+02
      3   0.298340D+01  0.164787D+01  0.133481D+01 -0.456161D+00  0.245173D+01
      4   0.770596D+01 -0.488424D+01  0.479498D+01 -0.583983D+00  0.659417D+01
      5   0.948300D+01  0.902024D+01 -0.155375D+01  0.139980D+02 -0.765145D+01
      6   0.541498D+01 -0.208105D+01  0.104662D+01 -0.204206D-01  0.278686D+01
               176           177           178           179           180 
      1  -0.137900D+01  0.578378D+01  0.498267D+01  0.248848D+01 -0.167490D+02
      2  -0.159700D+01  0.682538D+01 -0.111661D+02  0.334882D+01 -0.231698D+02
      3   0.297600D+01 -0.126092D+02  0.618343D+01 -0.583730D+01  0.399188D+02
      4  -0.344985D+01  0.919563D+01 -0.139538D+01  0.734078D+01 -0.769261D+01
      5   0.952617D+01 -0.196647D+02  0.221909D+02 -0.766987D+01  0.522347D+02
      6  -0.319010D+01  0.677912D+01 -0.993572D+00  0.610216D+01 -0.232367D+01
               181           182           183           184           185 
      1   0.115822D+03  0.114764D+02  0.366399D+02  0.160635D+02  0.127195D+02
      2  -0.619592D+02 -0.709451D+01 -0.204766D+02 -0.827491D+01 -0.484397D+01
      3  -0.538632D+02 -0.438189D+01 -0.161633D+02 -0.778861D+01 -0.787548D+01
      4   0.101190D+02  0.138469D+02  0.161850D+01  0.187680D+02  0.746698D+00
      5   0.422175D+02  0.235881D+01  0.266983D+02  0.249068D+01  0.627123D+01
      6   0.129341D+01  0.117837D+01  0.923488D+00  0.298200D+01  0.115492D+01
               186           187           188           189           190 
      1   0.248479D+01  0.449513D+02  0.159571D+01  0.244229D+02  0.456880D+00
      2  -0.111022D+01 -0.265954D+02 -0.143269D+01 -0.176709D+02  0.991896D+00
      3  -0.137457D+01 -0.183558D+02 -0.163014D+00 -0.675202D+01 -0.144878D+01
      4   0.623377D+01  0.487543D+00  0.543821D+01  0.587859D+01 -0.829491D+01
      5   0.668709D+01  0.322802D+02  0.656878D+01  0.230495D+02  0.352626D+01
      6   0.314745D+01  0.810177D+00  0.233114D+01  0.800895D+00 -0.177188D+01
               191           192           193           194           195 
      1  -0.879118D+01  0.375433D+01 -0.668357D+01 -0.795973D+01  0.736371D+01
      2   0.427126D+01 -0.245180D+01  0.162725D+01  0.143284D+02 -0.983464D+01
      3   0.451992D+01 -0.130252D+01  0.505632D+01 -0.636864D+01  0.247093D+01
      4   0.666387D+01 -0.183593D+01  0.987013D+01 -0.226489D+02  0.163137D+02
      5  -0.116061D+01  0.506629D+01 -0.276554D+01  0.165652D+02 -0.186251D+02
      6  -0.295820D+00 -0.279154D+00  0.131776D+01 -0.129480D+02  0.154370D+02
               196           197           198           199           200 
      1   0.728897D+01  0.943139D+01 -0.110542D+02 -0.379615D+02 -0.120582D+02
      2  -0.254322D+01 -0.134145D+02  0.562356D+01  0.207722D+02  0.117155D+02
      3  -0.474574D+01  0.398314D+01  0.543062D+01  0.171893D+02  0.342688D+00
      4  -0.865877D+01  0.286112D+02 -0.257469D+02  0.997195D+01 -0.734735D+01
      5   0.834960D+01 -0.257238D+02  0.411620D+02 -0.776053D+01 -0.129087D+01
      6  -0.338397D+01  0.180482D+02 -0.248372D+02  0.761269D+01  0.343973D+01
               201           202           203           204           205 
      1  -0.154844D+02 -0.972336D+01 -0.754470D+01 -0.263657D+01 -0.186046D+02
      2   0.763069D+01  0.712908D+01  0.747249D+01  0.301205D+01  0.868870D+01
      3   0.785372D+01  0.259427D+01  0.722133D-01 -0.375476D+00  0.991586D+01
      4   0.317934D+01  0.333029D+01 -0.310994D+01 -0.177575D+00  0.628809D+01
      5  -0.691953D+01 -0.312904D-01 -0.151480D+01 -0.427676D+01 -0.241460D+01
      6   0.690362D+01  0.234893D+01  0.208518D+01  0.497889D+01  0.395410D+01
               206           207           208           209           210 
      1  -0.478747D+01 -0.128325D+02  0.524754D+02 -0.235549D+02 -0.195705D+02
      2   0.505500D+01  0.641100D+01 -0.186855D+02  0.215541D+01  0.857118D+01
      3  -0.267521D+00  0.642149D+01 -0.337899D+02  0.213995D+02  0.109993D+02
      4  -0.540924D+01 -0.412242D+01 -0.462833D+02  0.377649D+02  0.173592D+02
      5  -0.718435D+01 -0.546021D+01 -0.262254D+02  0.131496D+02  0.197341D+02
      6   0.661851D+01  0.483901D+01  0.111853D+02 -0.702532D+01 -0.863679D+01
               211           212           213           214           215 
      1  -0.175047D+02  0.136631D+02  0.521381D+01 -0.265213D+02  0.107870D+02
      2   0.490551D+00  0.298360D+01  0.753978D+00  0.104685D+02  0.333817D+00
      3   0.170141D+02 -0.166467D+02 -0.596779D+01  0.160527D+02 -0.111208D+02
      4   0.314813D+02 -0.291329D+02 -0.124203D+02  0.268233D+02 -0.235845D+02
      5   0.106940D+02 -0.110439D+02 -0.109405D+02  0.235292D+02 -0.177983D+02
      6  -0.653787D+01  0.716400D+01  0.807092D+01 -0.101720D+02  0.106324D+02
               216           217           218           219           220 
      1   0.120050D+02 -0.488540D+02 -0.277463D+01 -0.185178D+02 -0.358630D+01
      2  -0.508775D+01  0.189903D+02  0.106609D+01  0.662718D+00  0.215105D+01
      3  -0.691727D+01  0.298637D+02  0.170854D+01  0.178551D+02  0.143524D+01
      4  -0.204407D+02 -0.747150D+01 -0.508562D+01  0.430406D+00  0.167196D+00
      5  -0.192503D+02  0.636946D+01  0.235451D+01 -0.114243D+02  0.633962D+00
      6   0.899346D+01  0.650069D+00  0.333291D+01 -0.140364D+01  0.162844D+01
               221           222           223           224           225 
      1  -0.468168D+01 -0.208639D+01 -0.132079D+02 -0.167311D-01 -0.193682D+02
      2   0.375956D+01 -0.106191D+01  0.814228D+00 -0.113569D+01 -0.165550D+00
      3   0.922125D+00  0.314830D+01  0.123936D+02  0.115242D+01  0.195337D+02
      4   0.455391D+01 -0.230377D+01 -0.139201D+01 -0.294339D+01 -0.255060D+01
      5  -0.164506D+01 -0.515536D+01 -0.391091D+01 -0.869776D+00 -0.103730D+02
      6  -0.652921D+00  0.285260D+01 -0.120412D+01  0.268659D+01 -0.106062D+01
               226           227           228           229           230 
      1   0.921083D+01  0.102181D+02 -0.571264D+01  0.150366D+02  0.246630D+01
      2  -0.316899D+01 -0.195683D+01  0.341458D+01 -0.272957D+01  0.209511D+02
      3  -0.604184D+01 -0.826125D+01  0.229806D+01 -0.123070D+02 -0.234174D+02
      4   0.132315D+02  0.170999D+02 -0.102035D+01  0.252901D+02  0.743372D+02
      5  -0.718592D+01 -0.209978D+01  0.583596D+01 -0.689781D+01 -0.984257D+01
      6  -0.183549D+01 -0.267962D+01  0.888117D+00 -0.529557D+01 -0.183155D+02
               231           232           233           234           235 
      1   0.718328D+00 -0.110083D+01  0.268515D+01 -0.400777D+00  0.646741D+02
      2   0.132759D+01  0.156735D+01  0.690334D+00  0.872708D+00 -0.437167D+02
      3  -0.204592D+01 -0.466519D+00 -0.337549D+01 -0.471931D+00 -0.209574D+02
      4  -0.798971D+01  0.174300D+01  0.506114D+01  0.515735D+01 -0.655034D+01
      5   0.113636D+02  0.438218D+01  0.499114D+01  0.430011D+00 -0.536310D+02
      6   0.740823D+01  0.807253D+00  0.534404D+01 -0.475021D+00  0.217206D+01
               236           237           238           239           240 
      1  -0.891659D+01 -0.340278D+02 -0.218194D+02  0.100460D+02  0.104393D+02
      2   0.651982D+01  0.273801D+02  0.151570D+02 -0.491186D+01 -0.103198D+02
      3   0.239678D+01  0.664776D+01  0.666248D+01 -0.513415D+01 -0.119484D+00
      4   0.136733D+02  0.291258D+01  0.140040D+02 -0.511614D+01 -0.769914D+01
      5   0.646369D+01  0.411185D+02  0.194872D+02 -0.970741D+01 -0.200940D+02
      6  -0.498743D+01 -0.880089D+00 -0.530497D+01  0.301062D+01  0.423440D+01
               241           242           243           244           245 
      1  -0.329808D+02  0.339071D+01  0.215763D+02  0.214369D+01 -0.690218D+01
      2   0.273307D+02 -0.429721D+01 -0.250600D+02 -0.482244D+00  0.335711D+01
      3   0.565013D+01  0.906507D+00  0.348370D+01 -0.166145D+01  0.354508D+01
      4   0.323053D+01 -0.612724D+01 -0.572604D+01 -0.109201D+02  0.865430D+01
      5   0.422604D+02 -0.795442D+01 -0.416785D+02  0.539397D+01 -0.458670D+01
      6  -0.153517D+01  0.394978D+01  0.162689D+01 -0.605113D+01  0.284131D+01
               246           247           248           249           250 
      1   0.817389D+00 -0.959350D+01 -0.477686D+01  0.425197D+01 -0.464213D-01
      2  -0.114738D+01  0.388982D+01  0.708831D+01 -0.945105D+00 -0.179883D+01
      3   0.329986D+00  0.570367D+01 -0.231146D+01 -0.330687D+01  0.184525D+01
      4  -0.413816D+01  0.129399D+02 -0.279279D+02  0.130067D+02 -0.523121D+01
      5   0.750808D+01 -0.652336D+01  0.132424D+02 -0.127959D+02  0.111771D+02
      6  -0.176406D+01  0.512650D+01 -0.155496D+02  0.101287D+02 -0.329636D+01
               251           252           253           254           255 
      1   0.194286D+01 -0.306008D+01 -0.293534D+02 -0.111563D+02 -0.437556D+02
      2   0.111538D+01 -0.344799D+01  0.340664D+02  0.106428D+02  0.133198D+02
      3  -0.305824D+01  0.650807D+01 -0.471301D+01  0.513497D+00  0.304357D+02
      4   0.132022D+02 -0.952208D+01 -0.171883D+02  0.304470D+01 -0.123770D+02
      5  -0.911117D+01  0.149960D+02 -0.537033D+02 -0.806046D+01 -0.140346D+02
      6   0.103668D+02 -0.782675D+01 -0.111425D+02  0.153502D+01  0.344828D+00
               256           257           258           259           260 
      1  -0.207092D+01  0.265894D+01 -0.143578D+02 -0.374691D+02 -0.129212D+02
      2   0.365959D+01 -0.197114D+02  0.958090D+01  0.101169D+02  0.143894D+02
      3  -0.158867D+01  0.170525D+02  0.477694D+01  0.273522D+02 -0.146828D+01
      4   0.119181D+02 -0.620894D+01  0.191216D+02 -0.579949D+01  0.178398D+02
      5   0.204429D+01  0.231508D+02  0.102066D+02 -0.271064D+01  0.411728D+01
      6   0.981321D+01  0.453766D+01  0.177434D+02  0.580928D+01  0.135167D+02
               261           262           263           264           265 
      1   0.102806D+02  0.368741D+02 -0.903300D+01 -0.234754D+02  0.441384D+01
      2   0.449427D+01 -0.241641D+02  0.512311D+01  0.170565D+02 -0.531703D+01
      3  -0.147749D+02 -0.127100D+02  0.390989D+01  0.641891D+01  0.903185D+00
      4   0.943690D+01 -0.168717D+02  0.111227D+02  0.109166D+02  0.533650D+01
      5   0.393457D+01 -0.338341D+02  0.939441D+01  0.294613D+02 -0.490037D+01
      6   0.405112D+01  0.610301D+01 -0.300662D+01 -0.531956D+01 -0.188382D+01
               266           267           268           269           270 
      1   0.180654D+01 -0.429354D+01 -0.290767D+02  0.694092D+01  0.215198D+02
      2  -0.582626D+00  0.505553D+01  0.234628D+02 -0.484109D+01 -0.238057D+02
      3  -0.122391D+01 -0.761986D+00  0.561392D+01 -0.209983D+01  0.228592D+01
      4  -0.551184D+01 -0.416153D+01  0.158891D+02 -0.136536D+02 -0.161104D+02
      5  -0.432244D+01  0.447696D+01  0.419168D+02 -0.139408D+02 -0.487071D+02
      6   0.207846D+01  0.280638D+01 -0.743145D+01  0.573305D+01  0.996627D+01
               271           272           273           274           275 
      1   0.661056D+00  0.712675D+01  0.342328D+01  0.780728D+01 -0.166302D+02
      2   0.138124D+01 -0.662869D+01  0.189676D+00 -0.469742D+01  0.342932D+02
      3  -0.204229D+01 -0.498068D+00 -0.361296D+01 -0.310986D+01 -0.176630D+02
      4   0.364556D+01  0.297174D+00  0.666776D+00  0.603785D+01  0.283263D+02
      5   0.210473D+01  0.255972D+01  0.912964D+00  0.517036D+01 -0.545487D+01
      6   0.151878D+01 -0.201994D+01 -0.130334D+01  0.613800D+00  0.139267D+02
               276           277           278           279           280 
      1  -0.193209D+00 -0.167493D+01  0.503265D+01 -0.215096D+01  0.649425D+02
      2  -0.668755D+01  0.233243D+01 -0.106673D+02  0.438528D+01 -0.461789D+02
      3   0.688076D+01 -0.657508D+00  0.563464D+01 -0.223433D+01 -0.187636D+02
      4  -0.232413D+01 -0.189433D+01 -0.104316D+02  0.875466D+00  0.267919D+02
      5   0.796468D+01 -0.149271D+01  0.228299D+01 -0.763767D+01  0.628604D+02
      6   0.360816D+01 -0.138785D+01 -0.219351D+01 -0.288439D+01  0.120958D+02
               281           282           283           284           285 
      1   0.674947D+01  0.220559D+02  0.124764D+01  0.483683D+01  0.150496D+01
      2  -0.358302D+01 -0.226907D+02  0.933062D+00 -0.599094D+00 -0.274650D+00
      3  -0.316646D+01  0.634740D+00 -0.218071D+01 -0.423774D+01 -0.123031D+01
      4   0.152091D+02  0.133864D+02  0.116087D+02  0.607591D+01  0.439482D+01
      5   0.119940D+02  0.391021D+02  0.306087D+01  0.561262D+01  0.105597D+01
      6   0.889591D+01  0.938501D+01  0.615612D+01  0.295175D+01  0.359301D+01
               286           287           288           289           290 
      1   0.172402D+02  0.205119D+01  0.771752D+01 -0.138957D+02  0.496536D+01
      2  -0.180485D+02 -0.266794D+01 -0.155290D+02 -0.184623D+01 -0.284853D+01
      3   0.808323D+00  0.616753D+00  0.781150D+01  0.157420D+02 -0.211683D+01
      4   0.975049D+01  0.457993D+01  0.630151D+01 -0.308941D+01 -0.273775D+01
      5   0.320084D+02  0.601311D+01  0.265580D+02  0.626902D+00 -0.112533D+01
      6   0.646872D+01  0.421304D+01  0.682733D+01  0.336959D+01 -0.571553D+01
               291           292           293           294           295 
      1   0.261397D+02 -0.137557D+01 -0.559878D+01  0.220369D+01  0.182891D+02
      2   0.240394D+01 -0.652157D-01  0.252092D+01  0.216035D+01 -0.148321D+01
      3  -0.285436D+02  0.144079D+01  0.307787D+01 -0.436405D+01 -0.168058D+02
      4   0.279091D+01 -0.863280D+00 -0.233839D+00  0.439517D+00  0.475603D+01
      5  -0.327921D+01 -0.942169D+00 -0.158940D+01 -0.356807D+01  0.478211D+01
      6  -0.725266D+01 -0.308230D+01  0.558030D+00  0.444368D+01 -0.282564D+01
               296           297 
      1  -0.364506D+01 -0.344842D+02
      2   0.267565D+00 -0.119172D+02
      3   0.337749D+01  0.464014D+02
      4   0.199340D+01 -0.225594D+01
      5   0.217555D+01  0.165653D+02
      6   0.672929D+01  0.115007D+02
 Leave Link  716 at Wed Sep  8 17:13:25 2021, MaxMem=  6442450944 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.212070D+03  0.618373D+01  0.766266D+01
      2   0.618373D+01  0.154108D+03 -0.866357D+01
      3   0.766266D+01 -0.866357D+01  0.139296D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.681490D+01  0.455430D+01 -0.104776D+00
      2  -0.106833D+02  0.964524D+01 -0.511370D+02
      3  -0.351866D+02  0.510058D+02 -0.176203D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.194640D+03  0.209126D+02 -0.439430D+02
      2   0.850337D+02 -0.223833D+02 -0.260977D+01
      3   0.109606D+03  0.147061D+01  0.465527D+02
      4   0.296897D+02 -0.110270D+03  0.273198D+02
      5   0.156358D+02  0.300731D+02 -0.975570D+02
      6   0.631422D+01  0.235251D+02  0.263250D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.921127D+01  0.131474D+01  0.238748D+01  0.118949D+02 -0.339383D+00
      2   0.131474D+01 -0.208022D+01  0.525085D-02 -0.339383D+00  0.232424D+01
      3   0.238748D+01  0.525085D-02  0.320189D+00  0.135038D+01  0.854963D+00
                 6             7             8             9            10 
      1   0.135038D+01 -0.798270D+00 -0.173439D+01  0.901611D-01 -0.289266D+02
      2   0.854963D+00 -0.173439D+01  0.798448D+00  0.766981D+00 -0.170295D-01
      3  -0.506274D+00  0.901611D-01  0.766981D+00 -0.428346D+01 -0.322810D+01
                11            12            13            14            15 
      1  -0.170295D-01 -0.322810D+01  0.659697D-01 -0.126870D+01 -0.171194D+01
      2  -0.255839D+01  0.825515D+00 -0.126870D+01 -0.167865D+01 -0.262695D+00
      3   0.825515D+00 -0.192260D+01 -0.171194D+01 -0.262695D+00 -0.129828D+01
                16            17            18            19            20 
      1  -0.631172D+01 -0.175308D+01 -0.452790D+01 -0.666709D+01 -0.513442D+00
      2  -0.175308D+01 -0.974245D+00 -0.644507D+00 -0.513442D+00  0.107219D+01
      3  -0.452790D+01 -0.644507D+00 -0.299860D+01 -0.267981D+01 -0.150498D+01
                21            22            23            24            25 
      1  -0.267981D+01  0.947514D+01  0.597861D+00  0.274288D+01 -0.971670D+01
      2  -0.150498D+01  0.597861D+00  0.307157D+01  0.118452D+01 -0.948815D+00
      3   0.252154D+01  0.274288D+01  0.118452D+01  0.797228D+00 -0.607515D+00
                26            27            28            29            30 
      1  -0.948815D+00 -0.607515D+00  0.248438D+02  0.162336D+01  0.462107D+01
      2   0.187096D+01  0.847562D+00  0.162336D+01  0.235452D+01 -0.142836D+00
      3   0.847562D+00 -0.186680D+01  0.462107D+01 -0.142836D+00  0.268634D+01
                31            32            33            34            35 
      1   0.904619D+00  0.109946D+01  0.177381D+01  0.454686D+01  0.217942D+01
      2   0.109946D+01 -0.552059D+00  0.619984D+00  0.217942D+01  0.209389D+01
      3   0.177381D+01  0.619984D+00  0.214252D+01  0.513961D+01  0.803990D+00
                36            37            38            39            40 
      1   0.513961D+01 -0.104240D+02 -0.140668D+01 -0.304777D+01 -0.128377D+02
      2   0.803990D+00 -0.140668D+01  0.398527D+01 -0.304476D-02 -0.868273D+00
      3   0.231582D+01 -0.304777D+01 -0.304476D-02 -0.566643D+00 -0.133159D+01
                41            42            43            44            45 
      1  -0.868273D+00 -0.133159D+01  0.576542D+00  0.181595D+01  0.342489D+00
      2  -0.186298D+01 -0.136612D+01  0.181595D+01 -0.782930D+00 -0.110546D+01
      3  -0.136612D+01 -0.153164D+00  0.342489D+00 -0.110546D+01  0.435349D+01
                46            47            48            49            50 
      1   0.762123D+01  0.518612D+00  0.291057D+01 -0.841574D+01  0.729989D+00
      2   0.518612D+00 -0.219756D+01  0.160849D+01  0.729989D+00 -0.241138D+01
      3   0.291057D+01  0.160849D+01 -0.208905D+01 -0.258479D+01 -0.124612D+01
                51            52            53            54            55 
      1  -0.258479D+01  0.112723D+02  0.495569D+00 -0.905629D-01  0.160685D+02
      2  -0.124612D+01  0.495569D+00 -0.350405D+01 -0.126310D+01 -0.171332D+01
      3  -0.107860D+01 -0.905629D-01 -0.126310D+01  0.147062D+01 -0.134202D+01
                56            57            58            59            60 
      1  -0.171332D+01 -0.134202D+01 -0.449714D+01  0.358008D+01  0.138910D+01
      2   0.199059D+01  0.907156D+00  0.358008D+01  0.478757D+01  0.216040D+01
      3   0.907156D+00  0.145097D+01  0.138910D+01  0.216040D+01 -0.289303D+01
                61            62            63            64            65 
      1  -0.479965D+01  0.157239D+01  0.344708D+01 -0.151327D+01  0.310314D+01
      2   0.157239D+01  0.788056D+00 -0.218894D+01  0.310314D+01 -0.137117D+01
      3   0.344708D+01 -0.218894D+01  0.461711D+01  0.566870D+01 -0.794565D+00
                66            67            68            69            70 
      1   0.566870D+01  0.755379D+01 -0.125038D+01 -0.108612D+01  0.134650D+02
      2  -0.794565D+00 -0.125038D+01 -0.499010D+01 -0.813373D+00 -0.178671D+01
      3   0.267571D+00 -0.108612D+01 -0.813373D+00  0.358614D+01  0.515140D+00
                71            72            73            74            75 
      1  -0.178671D+01  0.515140D+00  0.114004D+00 -0.317236D+01 -0.469177D+01
      2  -0.116771D+01  0.369685D+01 -0.317236D+01  0.185707D+01  0.125930D+01
      3   0.369685D+01 -0.173872D+01 -0.469177D+01  0.125930D+01  0.206390D+00
                76            77            78            79            80 
      1  -0.378603D+01  0.103897D+01  0.843822D+00 -0.640225D+01  0.168900D+01
      2   0.103897D+01  0.319900D+01  0.917575D+00  0.168900D+01  0.131348D+01
      3   0.843822D+00  0.917575D+00 -0.348076D+01  0.772977D+00 -0.446651D+01
                81            82            83            84            85 
      1   0.772977D+00  0.749792D-01 -0.202446D+01 -0.509887D+01 -0.306918D+01
      2  -0.446651D+01 -0.202446D+01  0.133792D+01  0.812755D+00  0.178940D+01
      3   0.275606D+01 -0.509887D+01  0.812755D+00  0.836181D+00  0.178723D+01
                86            87            88            89            90 
      1   0.178940D+01  0.178723D+01 -0.583527D+01  0.148334D+01  0.955819D-01
      2   0.631993D+01  0.314454D+00  0.148334D+01  0.144852D+01 -0.302459D+01
      3   0.314454D+00 -0.318953D+01  0.955819D-01 -0.302459D+01  0.977574D+00
                91            92            93            94            95 
      1  -0.375844D+01  0.862469D+00  0.584724D+00 -0.147299D+01 -0.231459D+01
      2   0.862469D+00 -0.118393D+01 -0.520747D+00 -0.231459D+01  0.150947D+01
      3   0.584724D+00 -0.520747D+00 -0.222840D+01 -0.195427D+01 -0.418488D+01
                96            97            98            99           100 
      1  -0.195427D+01  0.440739D+01 -0.144460D+01 -0.504885D+01 -0.181305D+01
      2  -0.418488D+01 -0.144460D+01 -0.333285D+01 -0.620178D+00 -0.205960D+01
      3  -0.236791D+01 -0.504885D+01 -0.620178D+00 -0.744280D+00 -0.264347D+00
               101           102           103           104           105 
      1  -0.205960D+01 -0.264347D+00 -0.438946D+01 -0.226205D+01  0.215020D+01
      2  -0.107805D+01  0.258667D+00 -0.226205D+01 -0.234007D+01  0.255479D+01
      3   0.258667D+00  0.163052D+01  0.215020D+01  0.255479D+01 -0.144330D+01
               106           107           108           109           110 
      1  -0.312725D+00  0.966619D+00  0.178638D+01  0.534612D+01  0.371778D+01
      2   0.966619D+00  0.213773D+01 -0.577334D+00  0.371778D+01  0.229258D+01
      3   0.178638D+01 -0.577334D+00 -0.188219D+01 -0.151652D+01 -0.438689D+00
               111           112           113           114           115 
      1  -0.151652D+01  0.877619D+01  0.386523D+01 -0.184093D+01 -0.371180D+01
      2  -0.438689D+00  0.386523D+01  0.788425D+01 -0.170897D+01 -0.109543D+01
      3   0.546289D+00 -0.184093D+01 -0.170897D+01  0.312367D+01  0.173701D+01
               116           117           118           119           120 
      1  -0.109543D+01  0.173701D+01 -0.104956D+01 -0.105343D+01  0.214676D+01
      2  -0.220551D+01  0.226709D+01 -0.105343D+01  0.367978D-02 -0.638547D+00
      3   0.226709D+01 -0.221035D+01  0.214676D+01 -0.638547D+00 -0.290630D+01
               121           122           123           124           125 
      1  -0.461204D+01  0.204820D+01  0.453083D+00  0.297365D+01 -0.934770D+00
      2   0.204820D+01 -0.498285D+01 -0.162681D+01 -0.934770D+00  0.227438D+00
      3   0.453083D+00 -0.162681D+01 -0.122645D+01 -0.307938D+01 -0.451728D+00
               126           127           128           129           130 
      1  -0.307938D+01 -0.173653D+01  0.138618D+01 -0.120952D+01  0.143270D+01
      2  -0.451728D+00  0.138618D+01 -0.987596D+00  0.954925D+00 -0.154561D+01
      3   0.332575D+01 -0.120952D+01  0.954925D+00 -0.121910D+01  0.113059D+01
               131           132           133           134           135 
      1  -0.154561D+01  0.113059D+01 -0.176437D+01  0.156402D+01 -0.125579D+01
      2   0.402151D+01 -0.276189D+01  0.156402D+01 -0.276027D+01  0.217527D+01
      3  -0.276189D+01  0.280708D+01 -0.125579D+01  0.217527D+01 -0.238691D+01
               136           137           138           139           140 
      1   0.308451D+01  0.194208D+01 -0.385050D+00  0.285124D+01  0.261367D+01
      2   0.194208D+01  0.201657D+01 -0.356198D+00  0.261367D+01  0.435844D+01
      3  -0.385050D+00 -0.356198D+00  0.515625D+00 -0.957196D+00 -0.144218D+01
               141           142           143           144           145 
      1  -0.957196D+00 -0.726366D+00 -0.786584D+00  0.438384D+00  0.181167D+01
      2  -0.144218D+01 -0.786584D+00 -0.186585D+01  0.757862D+00 -0.146391D+01
      3   0.121025D+01  0.438384D+00  0.757862D+00 -0.662808D+00  0.144060D+01
               146           147           148           149           150 
      1  -0.146391D+01  0.144060D+01 -0.143404D+01  0.172862D+01 -0.123091D+01
      2   0.137457D+01 -0.116096D+01  0.172862D+01 -0.510916D+01  0.296846D+01
      3  -0.116096D+01  0.131986D+01 -0.123091D+01  0.296846D+01 -0.268794D+01
               151           152           153           154           155 
      1   0.142794D+01 -0.160701D+01  0.115564D+01 -0.304872D+01 -0.238376D+01
      2  -0.160701D+01  0.326078D+01 -0.215268D+01 -0.238376D+01 -0.280719D+01
      3   0.115564D+01 -0.215268D+01  0.190010D+01  0.493481D+00  0.363331D+00
               156           157           158           159           160 
      1   0.493481D+00 -0.301081D+01 -0.317789D+01  0.988041D+00  0.437406D+00
      2   0.363331D+00 -0.317789D+01 -0.582653D+01  0.143871D+01  0.644707D+00
      3  -0.282600D+00  0.988041D+00  0.143871D+01 -0.102731D+01 -0.330322D+00
               161           162           163           164           165 
      1   0.644707D+00 -0.330322D+00 -0.258785D+01 -0.161769D+01 -0.329708D+00
      2   0.196603D+01 -0.690061D+00 -0.161769D+01 -0.159035D+01 -0.711191D+00
      3  -0.690061D+00  0.459218D+00 -0.329708D+00 -0.711191D+00 -0.744444D+00
               166           167           168           169           170 
      1  -0.416155D+01 -0.263705D+01 -0.134341D+01  0.161950D+01 -0.577776D+00
      2  -0.263705D+01 -0.683294D+01 -0.250539D+01 -0.577776D+00 -0.993291D+00
      3  -0.134341D+01 -0.250539D+01 -0.172995D+01 -0.787566D+00 -0.106466D+01
               171           172           173           174           175 
      1  -0.787566D+00 -0.124448D+01  0.682857D+00 -0.110230D+01  0.362050D+01
      2  -0.106466D+01  0.682857D+00 -0.389277D+00  0.369406D-01 -0.922120D+00
      3  -0.137974D+01 -0.110230D+01  0.369406D-01 -0.989548D+00  0.874579D+00
               176           177           178           179           180 
      1  -0.922120D+00  0.874579D+00 -0.218639D+01  0.254351D+00 -0.235998D+01
      2   0.562842D+00 -0.142664D+01  0.254351D+00 -0.106407D+01  0.118570D+01
      3  -0.142664D+01  0.287421D+01 -0.235998D+01  0.118570D+01 -0.805035D+01
               181           182           183           184           185 
      1  -0.107974D+02 -0.107257D+01 -0.361035D+01 -0.198939D+01 -0.153054D+01
      2  -0.107257D+01 -0.113304D+01 -0.172517D+00 -0.153054D+01  0.572536D-01
      3  -0.361035D+01 -0.172517D+00 -0.221336D+01 -0.104118D+00 -0.521059D+00
               186           187           188           189           190 
      1  -0.104118D+00 -0.535552D+01  0.339407D-01 -0.264116D+01 -0.265189D+00
      2  -0.521059D+00  0.339407D-01 -0.621222D+00 -0.709015D+00  0.965987D+00
      3  -0.792214D+00 -0.264116D+01 -0.709015D+00 -0.211536D+01 -0.389940D+00
               191           192           193           194           195 
      1   0.965987D+00 -0.389940D+00  0.103935D+01 -0.616603D+00  0.202013D+00
      2  -0.293643D+00 -0.154690D-01 -0.616603D+00  0.295261D+01 -0.214196D+01
      3  -0.154690D-01 -0.221072D+00  0.202013D+00 -0.214196D+01  0.243893D+01
               196           197           198           199           200 
      1  -0.110021D+01  0.565107D+00 -0.507432D+00  0.560358D+01  0.382904D+00
      2   0.565107D+00 -0.362478D+01  0.322283D+01  0.382904D+00  0.185457D+01
      3  -0.507432D+00  0.322283D+01 -0.525108D+01  0.158351D+01  0.458448D+00
               201           202           203           204           205 
      1   0.158351D+01  0.904647D+00  0.579698D+00  0.217881D+00  0.221203D+01
      2   0.458448D+00  0.579698D+00  0.949032D+00  0.358229D+00  0.229612D+00
      3   0.142915D+01  0.217881D+00  0.358229D+00  0.752365D+00  0.909947D+00
               206           207           208           209           210 
      1   0.229612D+00  0.909947D+00 -0.597522D+01  0.351519D+01  0.252431D+01
      2   0.108672D+01  0.109322D+01  0.351519D+01 -0.316535D+01 -0.129745D+01
      3   0.109322D+01  0.127917D+01  0.252431D+01 -0.129745D+01 -0.179311D+01
               211           212           213           214           215 
      1   0.250492D+01 -0.255243D+01 -0.106228D+01  0.351524D+01 -0.204873D+01
      2  -0.255243D+01  0.257538D+01  0.111668D+01 -0.204873D+01  0.216301D+01
      3  -0.106228D+01  0.111668D+01  0.118097D+01 -0.220292D+01  0.192610D+01
               216           217           218           219           220 
      1  -0.220292D+01  0.722788D+01  0.344875D+00  0.924826D+00  0.299718D+00
      2   0.192610D+01  0.344875D+00  0.767171D+00 -0.114158D+00  0.252399D+00
      3   0.191123D+01  0.924826D+00 -0.114158D+00  0.252952D+01  0.123230D+00
               221           222           223           224           225 
      1   0.252399D+00  0.123230D+00  0.210167D+00 -0.331875D-02  0.170090D+01
      2  -0.402944D+00  0.416886D+00 -0.331875D-02  0.559483D+00  0.147577D+00
      3   0.416886D+00  0.746165D+00  0.170090D+01  0.147577D+00  0.239722D+01
               226           227           228           229           230 
      1  -0.112406D+01 -0.122214D+01  0.674145D+00 -0.201290D+01 -0.208973D+01
      2  -0.122214D+01 -0.143301D+01  0.715701D-01 -0.208973D+01 -0.832877D+01
      3   0.674145D+00  0.715701D-01 -0.416172D+00  0.429793D+00  0.877313D+00
               231           232           233           234           235 
      1   0.429793D+00  0.205634D+00 -0.143506D+00 -0.245199D+00 -0.681820D+01
      2   0.877313D+00 -0.143506D+00 -0.520556D+00 -0.576848D+00  0.907891D+00
      3  -0.129979D+01 -0.245199D+00 -0.576848D+00 -0.422976D-01  0.424400D+01
               236           237           238           239           240 
      1   0.907891D+00  0.424400D+01  0.253268D+01 -0.137834D+01 -0.157794D+01
      2  -0.123737D+01 -0.474698D+00 -0.137834D+01  0.454171D+00  0.808821D+00
      3  -0.474698D+00 -0.329849D+01 -0.157794D+01  0.808821D+00  0.191365D+01
               241           242           243           244           245 
      1   0.389759D+01 -0.568180D+00 -0.335056D+01 -0.229145D+00 -0.156073D+01
      2  -0.568180D+00  0.582469D+00  0.773256D+00 -0.156073D+01  0.811919D+00
      3  -0.335056D+01  0.773256D+00  0.372072D+01  0.361153D+00 -0.377656D+00
               246           247           248           249           250 
      1   0.361153D+00 -0.277760D+01  0.140493D+01 -0.761921D+00  0.711917D+00
      2  -0.377656D+00  0.140493D+01 -0.434511D+01  0.193392D+01 -0.534547D+00
      3   0.703766D+00 -0.761921D+00  0.193392D+01 -0.193667D+01  0.135213D+01
               251           252           253           254           255 
      1  -0.534547D+00  0.135213D+01 -0.705265D+01 -0.149541D+01 -0.590098D+01
      2   0.205056D+01 -0.138458D+01 -0.149541D+01  0.686802D+00 -0.446281D+00
      3  -0.138458D+01  0.243396D+01 -0.590098D+01 -0.446281D+00  0.129863D+01
               256           257           258           259           260 
      1   0.267058D+01  0.227954D+01  0.114086D+01 -0.311099D+01  0.544141D+00
      2   0.227954D+01 -0.122438D+01  0.374662D+01  0.544141D+00  0.363021D+01
      3   0.114086D+01  0.374662D+01  0.266402D+01  0.270045D+01  0.121757D+01
               261           262           263           264           265 
      1   0.270045D+01  0.449446D+01 -0.146814D+01 -0.314162D+01  0.507291D+00
      2   0.121757D+01 -0.146814D+01  0.119521D+01  0.940255D+00  0.514786D+00
      3  -0.650730D+00 -0.314162D+01  0.940255D+00  0.296480D+01 -0.472375D+00
               266           267           268           269           270 
      1   0.514786D+00 -0.472375D+00 -0.434897D+01  0.140153D+01  0.427692D+01
      2  -0.681160D+00 -0.453968D+00  0.140153D+01 -0.158131D+01 -0.155934D+01
      3  -0.453968D+00  0.375328D+00  0.427692D+01 -0.155934D+01 -0.538625D+01
               271           272           273           274           275 
      1   0.272460D+00  0.755229D+00  0.125813D+00  0.153626D+01  0.654683D-01
      2   0.755229D+00 -0.703911D+00 -0.146171D-01  0.654683D-01  0.575384D+01
      3   0.125813D+00 -0.146171D-01 -0.387382D+00  0.280989D+00 -0.501124D+00
               276           277           278           279           280 
      1   0.280989D+00 -0.851988D+00 -0.125516D+00 -0.516653D+00  0.110339D+02
      2  -0.501124D+00 -0.125516D+00 -0.202120D+01  0.294522D+00  0.205232D+01
      3   0.137621D+01 -0.516653D+00  0.294522D+00 -0.115689D+01  0.509190D+01
               281           282           283           284           285 
      1   0.205232D+01  0.509190D+01  0.431983D+00  0.104345D+01  0.230636D+00
      2   0.154299D+01  0.127447D+01  0.104345D+01  0.607143D+00  0.369777D+00
      3   0.127447D+01  0.351724D+01  0.230636D+00  0.369777D+00 -0.117658D+00
               286           287           288           289           290 
      1   0.369798D+01  0.734970D+00  0.269540D+01 -0.177696D+01  0.169066D+00
      2   0.734970D+00  0.314277D+00  0.650587D+00  0.169066D+00 -0.933549D+00
      3   0.269540D+01  0.650587D+00  0.279768D+01  0.215564D+01 -0.592468D+00
               291           292           293           294           295 
      1   0.215564D+01 -0.535990D+00 -0.478057D+00 -0.893128D-01  0.215598D+01
      2  -0.592468D+00 -0.478057D+00  0.180824D+00  0.321070D+00 -0.817158D-01
      3  -0.346630D+01 -0.893128D-01  0.321070D+00 -0.759901D+00 -0.160440D+01
               296           297 
      1  -0.817158D-01 -0.160440D+01
      2   0.727794D+00  0.652569D+00
      3   0.652569D+00  0.609107D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.109956D+01  0.334950D+01 -0.273401D+00  0.527324D+01  0.767355D+00
      2   0.460598D+01 -0.432451D+01  0.445043D+01 -0.991957D+00 -0.538761D+01
      3  -0.138638D+02 -0.721757D+01  0.243532D+01 -0.149118D+01 -0.216852D+01
                 6             7             8             9            10 
      1  -0.228819D+01  0.515247D+01  0.277280D+01  0.125287D+01 -0.402576D+01
      2   0.202298D+01 -0.118331D+02 -0.319959D+01  0.997950D+00 -0.688819D+01
      3   0.125394D+01  0.553157D+01  0.113438D+01 -0.569645D+00  0.188463D+02
                11            12            13            14            15 
      1  -0.214632D+01  0.501708D+00 -0.937308D+01  0.498705D+01 -0.123062D+01
      2   0.126720D+01 -0.234368D+01  0.693900D+01  0.424451D+01 -0.197852D+01
      3   0.132730D+01  0.154558D+01  0.193745D+02  0.238993D+01  0.181975D+01
                16            17            18            19            20 
      1   0.279685D+01  0.646902D+01 -0.570839D+01 -0.153719D+00 -0.117373D+01
      2  -0.148165D+02 -0.193061D+01 -0.122856D+00  0.471237D+01 -0.389482D+00
      3  -0.190924D+01  0.137355D+01  0.122916D+01  0.702951D+01 -0.420226D+01
                21            22            23            24            25 
      1  -0.527016D-01 -0.172718D+01 -0.217955D+01 -0.287928D+01 -0.653152D+01
      2   0.110988D+01 -0.594151D+01  0.208398D+01 -0.884808D+00 -0.100332D+02
      3   0.283281D+01 -0.105852D+01  0.584305D+00 -0.160406D+01  0.949056D+01
                26            27            28            29            30 
      1   0.193777D+01 -0.394766D+01  0.224766D+01 -0.438124D+01  0.365309D+01
      2   0.156811D+01 -0.309676D+01  0.561030D+01  0.215337D+01  0.426920D+00
      3  -0.178571D+01  0.488024D+01 -0.147875D+02  0.432119D+00 -0.428062D+01
                31            32            33            34            35 
      1  -0.698761D+01  0.433822D+01 -0.822855D+00  0.759136D+01  0.677656D+01
      2   0.490581D+01  0.460212D+01  0.147532D+01 -0.104565D+02 -0.106023D+01
      3   0.212894D+02  0.378473D+01  0.206335D+01 -0.815143D+01  0.120961D+01
                36            37            38            39            40 
      1  -0.220000D+01 -0.352434D+01  0.112928D+01 -0.793621D+00  0.882280D+00
      2  -0.504611D+01  0.143895D+00 -0.432033D+01  0.371562D+01 -0.594899D+00
      3  -0.594117D+01  0.449400D+01 -0.405569D+01  0.551948D+01  0.131155D+02
                41            42            43            44            45 
      1   0.295693D+00 -0.233455D+01  0.359146D+01  0.120563D+01  0.470699D+01
      2  -0.435096D+01 -0.329080D+00 -0.966752D+01 -0.317664D+01  0.102739D+01
      3  -0.161322D+00  0.353244D+01  0.451100D+01  0.433470D+00  0.621528D+00
                46            47            48            49            50 
      1   0.479173D+01  0.100445D+01 -0.224145D+01 -0.485977D+01 -0.817691D+00
      2   0.704626D+01 -0.976391D+00  0.142912D+01 -0.819678D+01  0.218879D+01
      3  -0.627659D+01 -0.385367D+01 -0.209129D+01  0.998176D+01 -0.704021D+00
                51            52            53            54            55 
      1  -0.395438D+01 -0.642361D+01  0.268773D+01 -0.145840D+01  0.263158D+01
      2   0.101671D+00 -0.675079D+01  0.298844D+01 -0.293323D+01  0.219517D+02
      3   0.147116D+01 -0.569713D+01 -0.314655D+01  0.114598D+01 -0.157792D+02
                56            57            58            59            60 
      1  -0.503835D+00 -0.139508D+01 -0.356967D+01 -0.671257D+01 -0.693679D+01
      2  -0.484500D+01 -0.385445D+01 -0.975116D+01 -0.100306D+01  0.116942D+02
      3   0.540794D+01  0.354873D+01  0.230746D+02  0.138536D+02  0.653646D+01
                61            62            63            64            65 
      1  -0.176464D+01 -0.120109D+01  0.726514D+01 -0.243706D+01 -0.501394D-01
      2  -0.258797D+02  0.108625D+02 -0.108658D+02 -0.332477D+02  0.470438D+01
      3   0.840127D+01  0.226711D+01 -0.114059D+02  0.190005D+02 -0.912193D+01
                66            67            68            69            70 
      1   0.440516D+00  0.431559D+01  0.598560D+00 -0.380195D+01 -0.229815D+00
      2   0.318522D+01  0.114216D+02  0.108620D+01 -0.147490D+02  0.464798D+01
      3  -0.284382D+01 -0.381534D+01 -0.211468D+02 -0.434076D+01 -0.123563D+02
                71            72            73            74            75 
      1   0.323182D+01 -0.470449D+00  0.924222D+01 -0.273875D+01 -0.896938D+00
      2  -0.164152D+02  0.794515D+01  0.202335D+02 -0.442950D+01  0.798158D+00
      3  -0.554454D+01  0.167987D+02 -0.168789D+02 -0.276691D+01 -0.437592D+01
                76            77            78            79            80 
      1  -0.187712D+01 -0.259950D+01  0.631878D+01 -0.309119D+01  0.128985D+02
      2  -0.384120D+01 -0.333389D+01  0.134843D+02 -0.542750D+01  0.174161D+02
      3  -0.232577D+01  0.168480D+02  0.575356D+01 -0.484151D+01  0.883221D+01
                81            82            83            84            85 
      1  -0.612346D+01 -0.554485D+01  0.288154D+01  0.239999D+01  0.519616D+01
      2  -0.107751D+02  0.255489D+02 -0.229548D+01  0.786997D+01 -0.530542D+01
      3  -0.175028D+02 -0.825139D+01  0.508165D+01  0.829004D+01  0.113060D+02
                86            87            88            89            90 
      1   0.115489D+02 -0.472431D+01  0.310897D+01  0.147272D+01 -0.439556D+01
      2  -0.314165D+01  0.118899D+02  0.648643D+01  0.116015D+02 -0.515697D+01
      3   0.259538D+02  0.554330D+00  0.117319D+02  0.569231D+01 -0.136574D+02
                91            92            93            94            95 
      1  -0.163725D+01 -0.213759D+01 -0.387839D+00 -0.523391D+01  0.147728D+01
      2   0.118434D+02 -0.134037D+01 -0.170578D+01 -0.353754D+01 -0.106827D+02
      3  -0.133146D+01 -0.985054D+00  0.134230D+01  0.143713D+02 -0.556079D+01
                96            97            98            99           100 
      1  -0.846508D+01  0.139736D+01  0.180023D-01  0.123141D+00  0.192900D+01
      2  -0.447605D+01 -0.290566D+02 -0.174201D+01  0.116210D+01 -0.230308D+02
      3   0.140316D+02  0.349386D+01  0.117503D+02  0.317130D+01  0.491212D+01
               101           102           103           104           105 
      1   0.623610D+01  0.247766D+01  0.350045D+01  0.201179D+01  0.520946D+01
      2   0.301936D+01  0.887197D+01  0.882122D+01  0.883275D+01 -0.726457D+01
      3   0.753961D+00 -0.140346D+01  0.755049D+01  0.121782D+02 -0.104057D+02
               106           107           108           109           110 
      1  -0.106352D+01  0.458616D+01  0.625200D-01 -0.138573D+01 -0.307010D+01
      2  -0.140034D+01 -0.282201D+01  0.664510D+01  0.106991D+01 -0.137737D+01
      3  -0.937580D+00 -0.169458D+02  0.689127D+00 -0.104962D+02 -0.113501D+02
               111           112           113           114           115 
      1  -0.300076D+01 -0.101988D+00 -0.533714D+01 -0.714987D+01 -0.805112D+00
      2   0.508259D+01 -0.892742D+01 -0.779548D+01  0.132516D+02  0.649905D+01
      3   0.144187D+01 -0.572524D+01 -0.327324D+02  0.586089D+01 -0.581191D+00
               116           117           118           119           120 
      1   0.327859D+01  0.142541D+01  0.299371D+01 -0.852807D+00 -0.110352D+01
      2   0.918331D+01 -0.124607D+02  0.964943D+01 -0.367046D+01 -0.745849D+01
      3   0.118471D+02 -0.851757D+01  0.478950D+01 -0.210177D+01  0.390231D+00
               121           122           123           124           125 
      1   0.261891D+01  0.369123D+01 -0.693880D+01 -0.228344D+01  0.163623D+01
      2   0.214014D+01 -0.508699D+01 -0.590848D+01 -0.987932D+01 -0.239625D+01
      3  -0.452574D+00  0.198910D+02  0.413563D+01  0.274000D+01  0.134520D+01
               126           127           128           129           130 
      1   0.294297D+01 -0.854293D+00  0.948982D+00  0.962936D+00  0.132389D+01
      2   0.935722D+01 -0.301500D+01  0.106378D+01 -0.724473D-01  0.212748D+01
      3   0.505084D+01 -0.303130D+01  0.484978D+00 -0.498175D+00  0.254588D+01
               131           132           133           134           135 
      1  -0.329928D+01 -0.131109D+01 -0.132992D+01  0.396217D+01 -0.180691D+00
      2   0.286311D+00 -0.178102D+01 -0.390099D+01  0.251792D+00  0.100686D+01
      3   0.150848D+01 -0.649128D+00 -0.213210D+01 -0.882972D+00  0.201079D+00
               136           137           138           139           140 
      1  -0.158367D+01 -0.235366D+01 -0.157304D+01 -0.120699D+01 -0.160304D+01
      2   0.346249D+01  0.164226D+01  0.811487D+00  0.265892D+01  0.142877D+01
      3   0.502753D+01  0.342300D+00 -0.292370D+00  0.503881D+01 -0.108293D+01
               141           142           143           144           145 
      1  -0.276091D+01 -0.300679D+00  0.181511D+01  0.102218D-01  0.169746D+01
      2   0.132690D+01 -0.971128D+00 -0.389450D+00 -0.624022D+00 -0.115840D+01
      3  -0.117922D+00  0.484602D+00  0.126731D+01  0.250804D+00 -0.435223D+01
               146           147           148           149           150 
      1  -0.566215D+00  0.267091D+01 -0.756213D+00  0.432549D+00 -0.453121D+01
      2   0.154400D+00  0.505486D+00  0.916803D+00  0.647577D+00 -0.198413D+01
      3   0.922379D+00 -0.188560D+01  0.363282D+01  0.118702D+00  0.838116D+00
               151           152           153           154           155 
      1   0.585002D+00  0.141836D+01  0.201016D+01  0.653683D+00 -0.643671D+00
      2  -0.254694D+01 -0.116626D+00  0.674937D+00  0.138011D+01  0.566473D+00
      3  -0.333640D+01  0.668594D+00 -0.123198D+01  0.619017D+01  0.566763D+00
               156           157           158           159           160 
      1  -0.189551D+01  0.175545D+01  0.165550D+01 -0.399433D+01 -0.211883D+00
      2   0.103561D+01  0.134076D+00  0.199081D+00  0.181382D+01 -0.127105D+01
      3  -0.787185D+00  0.562806D+01 -0.128676D+01 -0.524131D+00  0.205476D+00
               161           162           163           164           165 
      1   0.801043D+00  0.815797D+00  0.192339D+01  0.191663D+01 -0.162266D+00
      2   0.177369D+00 -0.651410D+00 -0.304865D+01 -0.864159D-01  0.319948D+01
      3   0.122911D+01  0.102698D-01 -0.435476D+01 -0.553687D+01 -0.207247D+01
               166           167           168           169           170 
      1   0.254967D+01  0.890100D+01 -0.525388D+00  0.598680D+00  0.185285D+01
      2  -0.141644D+01  0.370762D+01  0.432232D+01  0.261959D+01  0.202552D+01
      3  -0.261567D+01 -0.210755D+02 -0.746351D+01 -0.330848D+01 -0.301140D+01
               171           172           173           174           175 
      1   0.144771D-02 -0.168811D+01  0.903750D+00 -0.445543D+00  0.156683D+01
      2   0.352390D+01  0.242785D+01  0.521927D+00  0.290776D+01  0.251155D+01
      3  -0.256976D+01  0.428245D+01 -0.316623D+01  0.105415D+01 -0.357078D+01
               176           177           178           179           180 
      1  -0.246799D+01  0.272195D+01 -0.170919D+01  0.542802D+01 -0.649620D+01
      2   0.315857D+01 -0.865438D+01  0.202758D+01 -0.335629D+01  0.230529D+02
      3   0.226141D+01 -0.545075D+01  0.191901D+01 -0.431231D+01  0.653530D+01
               181           182           183           184           185 
      1   0.312378D+00  0.117286D+01 -0.309880D-01  0.211845D+00  0.577912D-01
      2   0.872588D+01  0.301351D-01  0.109838D+02 -0.124408D+01  0.136029D+01
      3  -0.366262D+01 -0.823510D+01 -0.347630D+00 -0.460311D+01  0.794427D+00
               186           187           188           189           190 
      1  -0.744980D+00 -0.815186D-01  0.160957D+01  0.223886D+00  0.382385D+00
      2   0.374352D+01  0.564787D+01  0.357119D+01  0.801146D+01  0.167080D+01
      3  -0.210052D+01  0.144681D+01 -0.325826D+01 -0.322012D+01  0.507491D+01
               191           192           193           194           195 
      1   0.788082D-01  0.100669D+00 -0.198998D+00  0.302824D+01 -0.675169D+01
      2   0.255702D+00  0.117376D+01  0.269567D+00  0.794453D+01 -0.921756D+01
      3  -0.187646D+00 -0.689301D+00  0.153696D+01  0.107921D+02 -0.879772D+01
               196           197           198           199           200 
      1   0.302799D+00 -0.317322D+01  0.116986D+02 -0.285896D+01 -0.149242D+00
      2  -0.123932D+01 -0.117969D+02  0.201785D+02 -0.852100D+01 -0.188182D+01
      3  -0.126593D+01 -0.146238D+02  0.132470D+02  0.191105D+02  0.690946D+01
               201           202           203           204           205 
      1  -0.374362D+01 -0.392267D+00 -0.846398D+00 -0.228973D+01 -0.245629D+01
      2  -0.436090D+01 -0.843957D+00 -0.158183D+01 -0.218772D+01 -0.608564D+01
      3   0.585628D+01  0.701121D+01  0.410367D+01  0.241045D+01  0.602265D+01
               206           207           208           209           210 
      1  -0.475250D+00 -0.249478D+01 -0.554279D+01  0.180889D+01  0.510644D+01
      2  -0.386148D+01 -0.417681D+01 -0.996165D+01  0.524836D+01  0.935841D+01
      3   0.430106D+01  0.682173D+01  0.289230D+01 -0.929454D+01 -0.478261D+00
               211           212           213           214           215 
      1   0.280526D+01 -0.206086D+01 -0.398961D+01  0.464029D+01 -0.219720D+01
      2   0.358816D+01 -0.461535D+01 -0.564845D+01  0.738371D+01 -0.779888D+01
      3  -0.329629D+01  0.658918D+01  0.235475D+01 -0.286020D+00  0.644482D+01
               216           217           218           219           220 
      1  -0.454375D+01 -0.789756D-01  0.246824D+01  0.138862D+01  0.122041D+01
      2  -0.863474D+01 -0.212265D+02  0.245970D+00 -0.116413D+02 -0.173770D+00
      3   0.442295D+01 -0.538042D+01  0.189143D+01 -0.154153D+01  0.344952D+01
               221           222           223           224           225 
      1  -0.183905D+00 -0.216040D+00  0.149133D+01  0.206973D+01  0.161976D+01
      2  -0.235595D+01 -0.306606D+01 -0.111716D+02 -0.712415D+00 -0.123271D+02
      3  -0.202649D+01  0.130438D+01 -0.525919D+00  0.108385D+01 -0.116462D+01
               226           227           228           229           230 
      1  -0.977971D+00 -0.197269D+01 -0.573222D+00 -0.217201D+01 -0.119653D+02
      2  -0.273521D+01  0.873778D+00  0.155590D+01  0.824566D+00 -0.278760D+01
      3  -0.467990D+01 -0.557756D+01 -0.217231D+00 -0.330703D+01 -0.347076D+02
               231           232           233           234           235 
      1  -0.337271D+01 -0.169870D+00 -0.797667D-01 -0.103144D+01  0.464146D+01
      2   0.589996D+01 -0.762089D+00  0.223294D+01  0.835472D+00 -0.894175D+01
      3   0.307659D+01 -0.615627D+00 -0.236135D+01 -0.216544D+01  0.839432D+01
               236           237           238           239           240 
      1  -0.380364D+01 -0.287091D+01 -0.293424D+01  0.187431D+01  0.115995D+01
      2   0.568201D+00  0.111979D+02  0.297442D+01 -0.187842D+01 -0.736918D+01
      3  -0.853254D+01 -0.480285D+01 -0.685139D+01  0.341547D+01  0.413541D+01
               241           242           243           244           245 
      1  -0.392287D+01  0.330079D+01  0.343723D+01 -0.204858D+01  0.105818D+01
      2   0.648550D+01 -0.243304D+01 -0.131358D+02  0.139384D+01  0.229805D+00
      3  -0.524917D+01  0.414708D+01  0.561014D+01  0.530294D+01 -0.254553D+01
               246           247           248           249           250 
      1  -0.236904D+00  0.997438D+00 -0.510208D+01 -0.669667D+00 -0.699340D+00
      2   0.263794D+01  0.636939D+00  0.476894D+01 -0.479761D+01  0.164301D+01
      3   0.150091D+01  0.335810D+00  0.129666D+02 -0.549187D+01  0.108179D+01
               251           252           253           254           255 
      1   0.318515D+01 -0.433947D+00  0.396828D+01  0.375310D+01 -0.371239D+01
      2  -0.346854D+01  0.562985D+01 -0.466719D+01  0.116765D+01  0.180623D+02
      3  -0.644034D+01  0.373814D+01 -0.431037D+01 -0.702211D+01 -0.631456D+01
               256           257           258           259           260 
      1   0.435166D+01 -0.966062D+01  0.428342D+01 -0.976332D+00  0.939356D+01
      2   0.185417D+01  0.920027D+01  0.672364D+01  0.146572D+02  0.369247D+01
      3  -0.765050D+01  0.619600D+01 -0.133614D+02 -0.756365D+01 -0.121700D+02
               261           262           263           264           265 
      1   0.571269D+01 -0.268923D+01 -0.652192D+00  0.293705D+01  0.766577D-01
      2  -0.641936D+01 -0.846303D+01  0.354328D+01  0.102848D+02 -0.157305D+01
      3  -0.244735D+01  0.115506D+01 -0.412968D+01 -0.611961D+00 -0.115867D+01
               266           267           268           269           270 
      1  -0.920611D+00 -0.210471D+00  0.393817D+01  0.663412D+00 -0.503223D+01
      2  -0.150271D+01  0.153223D+01  0.123530D+02 -0.524002D+01 -0.198308D+02
      3   0.135090D+01  0.145406D+01 -0.927290D+00  0.560770D+01  0.195641D+01
               271           272           273           274           275 
      1   0.245829D+01 -0.172183D+01  0.144600D+01 -0.988662D+00  0.133751D+02
      2   0.141774D+00 -0.105559D+01 -0.103146D+01 -0.143967D+01 -0.135291D+01
      3  -0.361115D+01  0.274769D+01 -0.659730D+00  0.408290D+01 -0.173070D+02
               276           277           278           279           280 
      1  -0.608355D+01  0.140184D+01 -0.406969D+01  0.479439D+01 -0.133375D+01
      2   0.328017D+01 -0.171091D+01  0.905600D+00 -0.267805D+01 -0.523888D+01
      3   0.239588D+01 -0.276614D+01  0.644241D+01 -0.206860D+01  0.495264D+01
               281           282           283           284           285 
      1   0.335284D+01 -0.181900D+01  0.174216D+01  0.144236D+01 -0.534669D+00
      2   0.782868D+00  0.455881D+01 -0.211438D+00 -0.943488D+00 -0.431575D+00
      3  -0.579132D+01  0.729084D+00 -0.145700D+01 -0.158327D+01 -0.250324D+00
               286           287           288           289           290 
      1  -0.167382D+01  0.112432D+01 -0.210684D+01 -0.260775D+01 -0.314549D+01
      2  -0.106539D+00  0.538890D+00  0.473493D+01  0.123598D+02 -0.137948D+01
      3   0.219724D+01 -0.142987D+01  0.625620D+00 -0.349868D+01  0.174315D+01
               291           292           293           294           295 
      1   0.312311D+01 -0.184249D+01 -0.393102D+00  0.164683D+00  0.221964D+01
      2  -0.130904D+02  0.126588D+01  0.206031D+01 -0.183425D+01 -0.115282D+02
      3   0.403992D+01  0.209818D+01 -0.944124D+00 -0.590606D+00  0.319338D+01
               296           297 
      1   0.266356D+01 -0.581221D+01
      2   0.180761D+01  0.203175D+02
      3  -0.116419D+01 -0.454399D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.285689D+01  0.158051D+02 -0.554901D+01 -0.264453D+02  0.148191D+02
      2   0.627245D+01 -0.141105D+02  0.741700D+01  0.172367D+02 -0.416117D+01
      3  -0.341557D+01 -0.169455D+01 -0.186799D+01  0.920861D+01 -0.106579D+02
      4   0.126221D+02  0.454233D+01  0.590013D+01  0.156161D+02 -0.200968D+00
      5  -0.884001D+01  0.778920D+01 -0.618524D+01 -0.661765D+01 -0.277533D+01
      6   0.880720D+01  0.229018D+01  0.300159D+00 -0.498997D+01  0.899566D+01
                 6             7             8             9            10 
      1  -0.127753D+02  0.100535D+02  0.391051D+01 -0.107882D+02  0.570992D+02
      2   0.717111D+01 -0.761216D+01  0.186633D+01 -0.102686D+02 -0.303435D+02
      3   0.560418D+01 -0.244131D+01 -0.577684D+01  0.210568D+02 -0.267556D+02
      4  -0.279521D+01  0.891772D+01 -0.710924D+01  0.350444D+01 -0.263536D+01
      5  -0.185030D+01  0.435306D+01  0.345586D+01 -0.213481D+01  0.544640D+01
      6  -0.588922D+01  0.636510D+01 -0.104404D+01  0.368782D+01  0.534628D+00
                11            12            13            14            15 
      1  -0.264283D+01  0.489172D+01 -0.110746D+02 -0.169616D+02  0.620285D+01
      2   0.651318D+01 -0.498997D+01  0.317887D+01  0.126471D+02 -0.117551D+02
      3  -0.387035D+01  0.982597D-01  0.789576D+01  0.431455D+01  0.555222D+01
      4   0.667137D+01 -0.481781D+01 -0.133274D+02  0.326649D+01  0.277733D+00
      5  -0.412588D+01  0.153369D+01  0.123859D+02 -0.633986D+00  0.189975D+01
      6   0.177642D+01 -0.779086D+00 -0.165095D+01 -0.484937D+01  0.524684D+01
                16            17            18            19            20 
      1  -0.132053D+01  0.770005D+01 -0.598355D+01  0.183636D+01 -0.160689D+02
      2  -0.188713D+01 -0.238359D+01 -0.195338D+01 -0.952531D+01  0.724719D+01
      3   0.320767D+01 -0.531646D+01  0.793693D+01  0.768895D+01  0.882170D+01
      4   0.147188D+02  0.365330D+01  0.942399D-01 -0.148222D+02 -0.706214D+01
      5   0.111373D+02  0.511344D+00  0.423238D+01  0.225549D+01 -0.354026D+01
      6   0.101265D+02  0.118359D+02  0.530181D+01 -0.603503D+01 -0.582716D+01
                21            22            23            24            25 
      1   0.131793D+02  0.176027D+02  0.164141D+01 -0.295771D+01 -0.112778D+02
      2  -0.165190D+01 -0.120798D+02 -0.118647D+01  0.356158D+01  0.115813D+02
      3  -0.115274D+02 -0.552293D+01 -0.454931D+00 -0.603878D+00 -0.303442D+00
      4  -0.111256D+01  0.728045D+01 -0.505814D+01  0.604806D+01 -0.936202D+01
      5   0.753726D+01  0.303874D+01  0.713757D+01 -0.214796D+01  0.755750D+01
      6   0.150787D+01  0.128091D+02  0.848660D+01  0.495094D+01 -0.787410D+01
                26            27            28            29            30 
      1  -0.146810D+02 -0.447353D+00  0.889320D+01  0.353934D+01  0.183964D+01
      2   0.150078D+02 -0.531064D+01 -0.832555D+01 -0.418847D+01 -0.258850D+01
      3  -0.326879D+00  0.575800D+01 -0.567649D+00  0.649138D+00  0.748861D+00
      4  -0.675977D+00 -0.318521D+01 -0.117362D+01  0.608952D+01 -0.152723D+01
      5  -0.186809D+01 -0.513201D+01  0.453142D+01 -0.116338D+01  0.389612D+01
      6  -0.188168D+00 -0.446763D+00  0.748553D+01  0.214644D+01 -0.209661D+01
                31            32            33            34            35 
      1  -0.784334D+01 -0.163383D+02  0.491895D+01 -0.552698D+01  0.841327D+01
      2  -0.175676D+01  0.941627D+01 -0.128445D+02  0.667621D+00 -0.638957D+01
      3   0.960011D+01  0.692208D+01  0.792555D+01  0.485936D+01 -0.202370D+01
      4  -0.118936D+02 -0.178162D+01  0.713713D+00  0.164599D+02  0.323166D+01
      5   0.130488D+02  0.120865D+01  0.573261D+01  0.127941D+02  0.196717D+01
      6  -0.630573D+01 -0.674324D+01  0.379090D+01  0.395676D+01  0.998680D+01
                36            37            38            39            40 
      1  -0.328182D+01  0.830532D+01  0.226937D+02 -0.267796D+01 -0.161388D+02
      2  -0.604726D+00  0.294590D+01 -0.224938D+02  0.562041D+01  0.141064D+02
      3   0.388654D+01 -0.112512D+02 -0.199882D+00 -0.294245D+01  0.203233D+01
      4   0.156458D+01  0.803932D+01 -0.112150D+01  0.624764D+01  0.107423D+02
      5  -0.109658D+01 -0.776700D+01  0.889451D+01 -0.682987D+01 -0.365465D+00
      6   0.305497D+01  0.571161D+01 -0.305350D+01 -0.910039D+00 -0.831740D+01
                41            42            43            44            45 
      1   0.624643D+01 -0.103430D+02  0.679638D+01 -0.191595D+01 -0.863547D+01
      2   0.371439D+01  0.103723D+02 -0.982527D+01  0.717257D+01 -0.617956D+01
      3  -0.996082D+01 -0.292845D-01  0.302889D+01 -0.525663D+01  0.148150D+02
      4   0.127521D+01 -0.463098D+01  0.459092D+01 -0.109547D+02  0.432885D+01
      5  -0.406620D+01 -0.334677D+01  0.842676D+01  0.440192D+01 -0.147885D+01
      6   0.124675D+02 -0.639059D+01  0.570513D+01  0.170632D+01 -0.132376D+01
                46            47            48            49            50 
      1  -0.923378D+00 -0.177030D+02  0.802184D+01  0.247625D+02 -0.552266D+01
      2  -0.771268D+01  0.974387D+01 -0.400256D+01 -0.193142D+02  0.445324D+01
      3   0.863606D+01  0.795914D+01 -0.401928D+01 -0.544834D+01  0.106942D+01
      4  -0.111448D+02 -0.967446D+01 -0.891218D+00  0.164869D+01 -0.637061D+01
      5  -0.358795D+01 -0.358729D+01  0.919989D+01  0.790332D+01  0.559570D+01
      6  -0.364851D+01 -0.806513D+01  0.549642D+01  0.108444D+02  0.124362D+02
                51            52            53            54            55 
      1  -0.237535D+01 -0.276178D+02 -0.213370D+02  0.681189D+00 -0.478522D+02
      2   0.442026D+01  0.166718D+02  0.228854D+02 -0.247275D+01  0.202351D+02
      3  -0.204491D+01  0.109459D+02 -0.154847D+01  0.179156D+01  0.276171D+02
      4   0.587847D+01 -0.868518D+01  0.154637D+01  0.851230D+00  0.118892D+02
      5   0.161869D+00  0.106203D+02 -0.150191D+01 -0.372996D+01  0.178072D+02
      6   0.661746D+01 -0.383827D+01  0.577674D+01  0.527997D+00  0.142966D+01
                56            57            58            59            60 
      1   0.100651D+02  0.131229D+02  0.263026D+02 -0.402912D+01 -0.103757D+02
      2  -0.490529D+01 -0.626255D+01 -0.209832D+02 -0.374902D+01 -0.623904D+01
      3  -0.515980D+01 -0.686031D+01 -0.531942D+01  0.777814D+01  0.166148D+02
      4  -0.163566D+02 -0.628317D+01 -0.258601D+02 -0.382536D+02 -0.166426D+02
      5  -0.682466D+01 -0.108545D+02 -0.100684D+02 -0.158979D+02  0.196127D+02
      6  -0.326260D+01 -0.143045D+01 -0.113991D+02 -0.138525D+02 -0.623190D+01
                61            62            63            64            65 
      1   0.388903D+02 -0.110311D+02  0.361844D+01 -0.401013D+02 -0.231692D+02
      2  -0.108450D+02 -0.274586D+01  0.141816D+02  0.247180D+02  0.962896D+01
      3  -0.280453D+02  0.137770D+02 -0.178000D+02  0.153833D+02  0.135402D+02
      4  -0.100114D+02 -0.678560D+01  0.150697D+02 -0.247553D+02  0.128994D+02
      5  -0.198669D+02  0.150494D+02 -0.320739D+02 -0.583519D+02  0.508935D+01
      6  -0.143602D+01 -0.338486D+01  0.559455D+01  0.571267D+00  0.537891D+00
                66            67            68            69            70 
      1  -0.542494D+02 -0.423113D+02  0.112796D+02  0.545085D+01 -0.852172D+02
      2   0.263104D+02  0.257463D+02 -0.121533D+02 -0.529584D+01  0.414672D+02
      3   0.279390D+02  0.165650D+02  0.873707D+00 -0.155018D+00  0.437499D+02
      4   0.601843D+01  0.834644D+01  0.398360D+02  0.618264D+01  0.138245D+02
      5  -0.445062D+01  0.940625D+01  0.489430D+01 -0.284378D+02 -0.826816D+01
      6   0.106206D+01  0.171227D+01 -0.338536D+00 -0.367189D+00 -0.330500D+01
                71            72            73            74            75 
      1   0.930036D+01 -0.140727D+02  0.881467D+01  0.259482D+02  0.381803D+02
      2  -0.645335D+01  0.105166D+02 -0.122115D+02 -0.885390D+01 -0.170783D+02
      3  -0.284700D+01  0.355607D+01  0.339682D+01 -0.170943D+02 -0.211019D+02
      4   0.117606D+02 -0.302474D+02  0.248685D+02 -0.243293D+02 -0.223831D+02
      5  -0.306559D+02  0.135053D+02  0.382825D+02 -0.137876D+02 -0.482667D+01
      6   0.126864D+01  0.260469D+01 -0.186398D+02  0.447041D+01 -0.240134D+00
                76            77            78            79            80 
      1   0.278846D+02 -0.162676D+02 -0.118963D+02  0.481808D+02 -0.206012D+02
      2  -0.122488D+02  0.204472D+02  0.766437D+01 -0.206437D+02  0.117921D+02
      3  -0.156358D+02 -0.417959D+01  0.423190D+01 -0.275371D+02  0.880905D+01
      4  -0.178502D+02 -0.182756D+02 -0.456844D+01 -0.284673D+02 -0.611445D+01
      5  -0.989056D+01 -0.466324D+01  0.283062D+02 -0.102374D+02  0.367233D+02
      6   0.351617D+01  0.542067D+01 -0.149370D+02  0.514537D+01 -0.171814D+02
                81            82            83            84            85 
      1   0.557425D+01  0.716746D+01  0.169481D+02  0.490456D+02  0.253307D+02
      2  -0.109079D+02  0.117497D+02 -0.122909D+02 -0.248698D+02 -0.214089D+02
      3   0.533363D+01 -0.189171D+02 -0.465714D+01 -0.241759D+02 -0.392178D+01
      4   0.371439D+02  0.187700D+02 -0.102913D+02 -0.527809D+01 -0.149482D+02
      5  -0.221611D+02  0.438950D+02 -0.106148D+02 -0.207634D+02 -0.212864D+02
      6   0.119392D+02 -0.321798D+01  0.235392D+01  0.308056D+01  0.323883D+01
                86            87            88            89            90 
      1  -0.109375D+02 -0.121629D+02  0.530815D+02 -0.751820D+01 -0.707811D+01
      2  -0.925157D+01  0.130182D+02 -0.281192D+02  0.997898D+01  0.382680D+01
      3   0.201891D+02 -0.855298D+00 -0.249623D+02 -0.246078D+01  0.325131D+01
      4  -0.571279D+02 -0.296241D+01 -0.999060D+01 -0.127431D+02  0.255686D+02
      5   0.696158D+00  0.286879D+02 -0.160241D+02  0.264666D+02 -0.490201D+01
      6   0.985505D+01  0.356307D+01  0.525645D+01  0.411388D+01 -0.943681D+01
                91            92            93            94            95 
      1   0.359994D+01  0.925546D+01  0.170475D+02  0.541512D+01  0.538013D+01
      2  -0.371232D+01 -0.458673D+01 -0.518921D+01  0.816341D+00  0.238113D+01
      3   0.112382D+00 -0.466873D+01 -0.118583D+02 -0.623147D+01 -0.776127D+01
      4   0.821100D+01 -0.428807D+01 -0.633799D+00 -0.127496D+02  0.120168D+02
      5   0.137453D+02 -0.522082D+00 -0.772493D+01 -0.100986D+02 -0.264829D+02
      6   0.738567D+00 -0.524560D+01 -0.936608D+00 -0.135490D+02  0.389411D+01
                96            97            98            99           100 
      1   0.363678D+01  0.311742D+02  0.997425D+00 -0.109039D+02 -0.546826D+01
      2   0.421137D+01 -0.128787D+02 -0.428042D+00  0.597689D+01 -0.289991D+00
      3  -0.784815D+01 -0.182955D+02 -0.569383D+00  0.492705D+01  0.575825D+01
      4  -0.259353D+02 -0.999023D+01 -0.213108D+02 -0.106944D+01 -0.147862D+02
      5  -0.947229D+01 -0.323557D+02 -0.883622D+00 -0.296895D+01  0.370532D+01
      6  -0.169190D+02 -0.431788D+01 -0.127383D+02 -0.516927D+01  0.131112D+01
               101           102           103           104           105 
      1  -0.105572D+02 -0.530326D+01 -0.290854D+02 -0.166301D+02  0.108051D+02
      2   0.523316D+01  0.108412D+01  0.187609D+02  0.202632D+01 -0.114157D+02
      3   0.532400D+01  0.421914D+01  0.103245D+02  0.146037D+02  0.610679D+00
      4  -0.166120D+02  0.285987D+01 -0.336731D+02 -0.189718D+02  0.203734D+02
      5   0.339354D+01  0.786144D+01  0.194242D+02  0.200610D+02 -0.165598D+02
      6   0.823885D+01 -0.730550D+00  0.985388D+01  0.376119D+01 -0.109608D+02
               106           107           108           109           110 
      1   0.908335D+01  0.594027D+01  0.152547D+02  0.471052D+02  0.258527D+02
      2  -0.226261D+00 -0.301784D+01 -0.931317D+01 -0.214326D+02 -0.969132D+01
      3  -0.885708D+01 -0.292242D+01 -0.594148D+01 -0.256725D+02 -0.161614D+02
      4   0.730146D+01  0.307197D+02 -0.638359D+01  0.357915D+02  0.300753D+02
      5   0.142136D+02 -0.602270D+01 -0.313307D+01 -0.180639D+02 -0.692753D+01
      6  -0.224409D+00 -0.580463D+01  0.662437D+00 -0.689908D+01 -0.592036D+01
               111           112           113           114           115 
      1  -0.109536D+02  0.480879D+02  0.134796D+02 -0.664065D+01 -0.189849D+02
      2   0.628433D+01 -0.210608D+02  0.571084D+01  0.483209D+01  0.122279D+02
      3   0.466929D+01 -0.270271D+02 -0.191904D+02  0.180855D+01  0.675700D+01
      4  -0.471110D+01  0.422024D+02  0.683822D+02 -0.151670D+02 -0.111352D+02
      5   0.125828D+02 -0.205739D+02 -0.153727D+02  0.273379D+02  0.216014D+02
      6   0.372465D+01 -0.707171D+01 -0.170228D+02  0.143846D+02  0.387169D+01
               116           117           118           119           120 
      1  -0.161316D+01  0.242809D+01 -0.731299D+00 -0.121152D+02  0.134036D+02
      2   0.894796D+00 -0.723980D+01  0.930166D+01  0.206587D+01 -0.123926D+02
      3   0.718367D+00  0.481171D+01 -0.857036D+01  0.100493D+02 -0.101101D+01
      4  -0.231567D+02  0.197328D+02 -0.996197D+01  0.958140D+01 -0.715392D+01
      5   0.190405D+02 -0.224919D+02  0.206860D+02 -0.396552D+01 -0.207237D+02
      6   0.142685D+02 -0.982860D+01 -0.224470D+01  0.308353D-01  0.310386D+01
               121           122           123           124           125 
      1  -0.245501D+02  0.364415D+01 -0.410533D+01  0.233316D+02 -0.109727D+02
      2   0.710564D+01  0.129927D+02  0.230187D+01 -0.191867D+02  0.531064D+01
      3   0.174445D+02 -0.166368D+02  0.180347D+01 -0.414492D+01  0.566204D+01
      4   0.307714D+02 -0.460371D+02 -0.131715D+02 -0.822517D+01 -0.100040D+01
      5   0.754566D+01 -0.104866D+02 -0.116515D+02 -0.259706D+02 -0.190601D+01
      6  -0.566002D+01  0.123362D+02  0.121960D+02  0.401614D+01  0.720445D+01
               126           127           128           129           130 
      1  -0.268001D+02  0.151267D+00  0.105323D+01 -0.286310D+01  0.309211D+01
      2   0.185812D+02 -0.896136D+00  0.227114D+00 -0.151266D+01 -0.242329D+01
      3   0.821892D+01  0.744869D+00 -0.128035D+01  0.437575D+01 -0.668814D+00
      4  -0.895085D+00 -0.686014D+01  0.688586D+01 -0.450821D+01  0.783628D+01
      5   0.287895D+02  0.455092D+01 -0.415538D+01  0.531328D+01 -0.427748D+01
      6   0.814797D+00 -0.472307D+01  0.490777D+01 -0.435195D+01  0.601644D+01
               131           132           133           134           135 
      1  -0.151140D+02  0.123512D+02 -0.819694D+00  0.896746D+01 -0.104884D+02
      2   0.110512D+02 -0.345792D+01 -0.957326D+00 -0.475725D+01  0.115324D+01
      3   0.406277D+01 -0.889330D+01  0.177702D+01 -0.421020D+01  0.933512D+01
      4  -0.111263D+02  0.646678D+01 -0.664457D+01  0.845267D+01 -0.679130D+01
      5   0.471969D+01 -0.460320D+01  0.524269D+01 -0.487659D+01  0.716529D+01
      6  -0.164011D+02  0.138587D+02 -0.554580D+01  0.121208D+02 -0.122457D+02
               136           137           138           139           140 
      1   0.270812D+01 -0.242942D+01  0.195466D+00 -0.235141D+01 -0.116915D+02
      2   0.167295D+01  0.541693D+01 -0.617903D+00  0.549422D+01  0.165555D+02
      3  -0.438106D+01 -0.298751D+01  0.422438D+00 -0.314281D+01 -0.486394D+01
      4   0.787815D+01  0.795211D+01 -0.171521D+01  0.102481D+02  0.128926D+02
      5  -0.479594D+01 -0.306123D+01  0.348318D+01 -0.597423D+01 -0.697856D+01
      6  -0.182036D+01 -0.225700D+01  0.233538D+01 -0.468478D+01 -0.876282D+01
               141           142           143           144           145 
      1   0.452756D+01  0.102866D+01  0.527740D+01 -0.302275D+01 -0.290368D+01
      2  -0.324593D+01 -0.183020D+01 -0.581898D+01  0.191561D+01  0.340732D+01
      3  -0.128163D+01  0.801540D+00  0.541573D+00  0.110714D+01 -0.503636D+00
      4  -0.349755D+01 -0.302405D+01 -0.293797D+01  0.262239D+01 -0.790790D+01
      5   0.538184D+01  0.333208D+01  0.311939D+01 -0.252853D+01  0.463411D+01
      6   0.640399D+01  0.273736D+01  0.506024D+01 -0.347249D+01 -0.633723D+01
               146           147           148           149           150 
      1   0.441927D+01 -0.430466D+01  0.615166D+01 -0.223844D+02  0.143318D+02
      2  -0.464595D+01  0.203969D+01 -0.695361D+01  0.250791D+02 -0.108303D+02
      3   0.226679D+00  0.226496D+01  0.801959D+00 -0.269477D+01 -0.350149D+01
      4   0.898837D+01 -0.589581D+01  0.856310D+01 -0.124907D+02  0.663762D+01
      5  -0.400164D+01  0.492687D+01 -0.391250D+01  0.339999D+01 -0.349855D+01
      6   0.659684D+01 -0.606009D+01  0.699265D+01 -0.196579D+02  0.153825D+02
               151           152           153           154           155 
      1  -0.461432D+01  0.142609D+02 -0.113174D+02  0.192231D+01 -0.367173D+01
      2   0.480784D+01 -0.141662D+02  0.695961D+01  0.704924D+01  0.126295D+02
      3  -0.193526D+00 -0.946823D-01  0.435774D+01 -0.897155D+01 -0.895774D+01
      4  -0.679021D+01  0.961172D+01 -0.661726D+01  0.148313D+02  0.155175D+02
      5   0.383018D+01 -0.362381D+01  0.466145D+01 -0.485136D+01 -0.361109D+01
      6  -0.583364D+01  0.137207D+02 -0.123653D+02 -0.147851D+01 -0.905543D+00
               156           157           158           159           160 
      1  -0.786811D+00 -0.166585D+01 -0.160109D+02  0.340206D+01  0.374552D+01
      2  -0.915518D+00  0.116470D+02  0.310217D+02 -0.526620D+01 -0.409094D+01
      3   0.170233D+01 -0.998119D+01 -0.150109D+02  0.186414D+01  0.345422D+00
      4  -0.274402D+01  0.171097D+02  0.239231D+02 -0.536034D+01 -0.301714D+01
      5   0.324945D+01 -0.658088D+01 -0.730662D+01  0.516520D+01  0.201573D+01
      6   0.259417D+01 -0.410576D+01 -0.774489D+01  0.626049D+01  0.262066D+01
               161           162           163           164           165 
      1   0.696132D+01 -0.287283D+01  0.130570D+02  0.733305D+01  0.281673D+00
      2  -0.101966D+02  0.317521D+01 -0.289397D+01 -0.212597D+01 -0.702994D+00
      3   0.323526D+01 -0.302377D+00 -0.101630D+02 -0.520708D+01  0.421322D+00
      4  -0.488469D+01  0.352048D+01  0.151240D+02  0.176391D+02  0.666034D+01
      5   0.371613D+01 -0.216583D+01  0.460179D+01  0.766094D+01  0.829291D+01
      6   0.477696D+01 -0.317623D+01  0.533590D+01  0.464775D+01  0.274505D+01
               166           167           168           169           170 
      1   0.133054D+02 -0.696757D+01 -0.261585D+01 -0.716472D+01 -0.125863D+01
      2  -0.192287D+01  0.173305D+02  0.276398D+01  0.242415D+01  0.480358D+00
      3  -0.113825D+02 -0.103630D+02 -0.148130D+00  0.474057D+01  0.778274D+00
      4   0.255247D+02  0.495857D+02  0.181860D+02  0.493283D+01  0.678064D+01
      5   0.130239D+02  0.177028D+02  0.126479D+02  0.732080D+01  0.717440D+01
      6   0.974424D+01  0.222452D+02  0.131042D+02  0.313835D+01  0.853133D+01
               171           172           173           174           175 
      1  -0.215034D+01  0.574139D+01 -0.365993D+01  0.540880D+01 -0.128032D+02
      2  -0.833064D+00 -0.738926D+01  0.232512D+01 -0.495264D+01  0.103515D+02
      3   0.298340D+01  0.164787D+01  0.133481D+01 -0.456161D+00  0.245173D+01
      4   0.770596D+01 -0.488424D+01  0.479498D+01 -0.583983D+00  0.659417D+01
      5   0.948300D+01  0.902024D+01 -0.155375D+01  0.139980D+02 -0.765145D+01
      6   0.541498D+01 -0.208105D+01  0.104662D+01 -0.204206D-01  0.278686D+01
               176           177           178           179           180 
      1  -0.137900D+01  0.578378D+01  0.498267D+01  0.248848D+01 -0.167490D+02
      2  -0.159700D+01  0.682538D+01 -0.111661D+02  0.334882D+01 -0.231698D+02
      3   0.297600D+01 -0.126092D+02  0.618343D+01 -0.583730D+01  0.399188D+02
      4  -0.344985D+01  0.919563D+01 -0.139538D+01  0.734078D+01 -0.769261D+01
      5   0.952617D+01 -0.196647D+02  0.221909D+02 -0.766987D+01  0.522347D+02
      6  -0.319010D+01  0.677912D+01 -0.993572D+00  0.610216D+01 -0.232367D+01
               181           182           183           184           185 
      1   0.115822D+03  0.114764D+02  0.366399D+02  0.160635D+02  0.127195D+02
      2  -0.619592D+02 -0.709451D+01 -0.204766D+02 -0.827491D+01 -0.484397D+01
      3  -0.538632D+02 -0.438189D+01 -0.161633D+02 -0.778861D+01 -0.787548D+01
      4   0.101190D+02  0.138469D+02  0.161850D+01  0.187680D+02  0.746698D+00
      5   0.422175D+02  0.235881D+01  0.266983D+02  0.249068D+01  0.627123D+01
      6   0.129341D+01  0.117837D+01  0.923488D+00  0.298200D+01  0.115492D+01
               186           187           188           189           190 
      1   0.248479D+01  0.449513D+02  0.159571D+01  0.244229D+02  0.456880D+00
      2  -0.111022D+01 -0.265954D+02 -0.143269D+01 -0.176709D+02  0.991896D+00
      3  -0.137457D+01 -0.183558D+02 -0.163014D+00 -0.675202D+01 -0.144878D+01
      4   0.623377D+01  0.487543D+00  0.543821D+01  0.587859D+01 -0.829491D+01
      5   0.668709D+01  0.322802D+02  0.656878D+01  0.230495D+02  0.352626D+01
      6   0.314745D+01  0.810177D+00  0.233114D+01  0.800895D+00 -0.177188D+01
               191           192           193           194           195 
      1  -0.879118D+01  0.375433D+01 -0.668357D+01 -0.795973D+01  0.736371D+01
      2   0.427126D+01 -0.245180D+01  0.162725D+01  0.143284D+02 -0.983464D+01
      3   0.451992D+01 -0.130252D+01  0.505632D+01 -0.636864D+01  0.247093D+01
      4   0.666387D+01 -0.183593D+01  0.987013D+01 -0.226489D+02  0.163137D+02
      5  -0.116061D+01  0.506629D+01 -0.276554D+01  0.165652D+02 -0.186251D+02
      6  -0.295820D+00 -0.279154D+00  0.131776D+01 -0.129480D+02  0.154370D+02
               196           197           198           199           200 
      1   0.728897D+01  0.943139D+01 -0.110542D+02 -0.379615D+02 -0.120582D+02
      2  -0.254322D+01 -0.134145D+02  0.562356D+01  0.207722D+02  0.117155D+02
      3  -0.474574D+01  0.398314D+01  0.543062D+01  0.171893D+02  0.342688D+00
      4  -0.865877D+01  0.286112D+02 -0.257469D+02  0.997195D+01 -0.734735D+01
      5   0.834960D+01 -0.257238D+02  0.411620D+02 -0.776053D+01 -0.129087D+01
      6  -0.338397D+01  0.180482D+02 -0.248372D+02  0.761269D+01  0.343973D+01
               201           202           203           204           205 
      1  -0.154844D+02 -0.972336D+01 -0.754470D+01 -0.263657D+01 -0.186046D+02
      2   0.763069D+01  0.712908D+01  0.747249D+01  0.301205D+01  0.868870D+01
      3   0.785372D+01  0.259427D+01  0.722133D-01 -0.375476D+00  0.991586D+01
      4   0.317934D+01  0.333029D+01 -0.310994D+01 -0.177575D+00  0.628809D+01
      5  -0.691953D+01 -0.312904D-01 -0.151480D+01 -0.427676D+01 -0.241460D+01
      6   0.690362D+01  0.234893D+01  0.208518D+01  0.497889D+01  0.395410D+01
               206           207           208           209           210 
      1  -0.478747D+01 -0.128325D+02  0.524754D+02 -0.235549D+02 -0.195705D+02
      2   0.505500D+01  0.641100D+01 -0.186855D+02  0.215541D+01  0.857118D+01
      3  -0.267521D+00  0.642149D+01 -0.337899D+02  0.213995D+02  0.109993D+02
      4  -0.540924D+01 -0.412242D+01 -0.462833D+02  0.377649D+02  0.173592D+02
      5  -0.718435D+01 -0.546021D+01 -0.262254D+02  0.131496D+02  0.197341D+02
      6   0.661851D+01  0.483901D+01  0.111853D+02 -0.702532D+01 -0.863679D+01
               211           212           213           214           215 
      1  -0.175047D+02  0.136631D+02  0.521381D+01 -0.265213D+02  0.107870D+02
      2   0.490551D+00  0.298360D+01  0.753978D+00  0.104685D+02  0.333817D+00
      3   0.170141D+02 -0.166467D+02 -0.596779D+01  0.160527D+02 -0.111208D+02
      4   0.314813D+02 -0.291329D+02 -0.124203D+02  0.268233D+02 -0.235845D+02
      5   0.106940D+02 -0.110439D+02 -0.109405D+02  0.235292D+02 -0.177983D+02
      6  -0.653787D+01  0.716400D+01  0.807092D+01 -0.101720D+02  0.106324D+02
               216           217           218           219           220 
      1   0.120050D+02 -0.488540D+02 -0.277463D+01 -0.185178D+02 -0.358630D+01
      2  -0.508775D+01  0.189903D+02  0.106609D+01  0.662718D+00  0.215105D+01
      3  -0.691727D+01  0.298637D+02  0.170854D+01  0.178551D+02  0.143524D+01
      4  -0.204407D+02 -0.747150D+01 -0.508562D+01  0.430406D+00  0.167196D+00
      5  -0.192503D+02  0.636946D+01  0.235451D+01 -0.114243D+02  0.633962D+00
      6   0.899346D+01  0.650069D+00  0.333291D+01 -0.140364D+01  0.162844D+01
               221           222           223           224           225 
      1  -0.468168D+01 -0.208639D+01 -0.132079D+02 -0.167311D-01 -0.193682D+02
      2   0.375956D+01 -0.106191D+01  0.814228D+00 -0.113569D+01 -0.165550D+00
      3   0.922125D+00  0.314830D+01  0.123936D+02  0.115242D+01  0.195337D+02
      4   0.455391D+01 -0.230377D+01 -0.139201D+01 -0.294339D+01 -0.255060D+01
      5  -0.164506D+01 -0.515536D+01 -0.391091D+01 -0.869776D+00 -0.103730D+02
      6  -0.652921D+00  0.285260D+01 -0.120412D+01  0.268659D+01 -0.106062D+01
               226           227           228           229           230 
      1   0.921083D+01  0.102181D+02 -0.571264D+01  0.150366D+02  0.246630D+01
      2  -0.316899D+01 -0.195683D+01  0.341458D+01 -0.272957D+01  0.209511D+02
      3  -0.604184D+01 -0.826125D+01  0.229806D+01 -0.123070D+02 -0.234174D+02
      4   0.132315D+02  0.170999D+02 -0.102035D+01  0.252901D+02  0.743372D+02
      5  -0.718592D+01 -0.209978D+01  0.583596D+01 -0.689781D+01 -0.984257D+01
      6  -0.183549D+01 -0.267962D+01  0.888117D+00 -0.529557D+01 -0.183155D+02
               231           232           233           234           235 
      1   0.718328D+00 -0.110083D+01  0.268515D+01 -0.400777D+00  0.646741D+02
      2   0.132759D+01  0.156735D+01  0.690334D+00  0.872708D+00 -0.437167D+02
      3  -0.204592D+01 -0.466519D+00 -0.337549D+01 -0.471931D+00 -0.209574D+02
      4  -0.798971D+01  0.174300D+01  0.506114D+01  0.515735D+01 -0.655034D+01
      5   0.113636D+02  0.438218D+01  0.499114D+01  0.430011D+00 -0.536310D+02
      6   0.740823D+01  0.807253D+00  0.534404D+01 -0.475021D+00  0.217206D+01
               236           237           238           239           240 
      1  -0.891659D+01 -0.340278D+02 -0.218194D+02  0.100460D+02  0.104393D+02
      2   0.651982D+01  0.273801D+02  0.151570D+02 -0.491186D+01 -0.103198D+02
      3   0.239678D+01  0.664776D+01  0.666248D+01 -0.513415D+01 -0.119484D+00
      4   0.136733D+02  0.291258D+01  0.140040D+02 -0.511614D+01 -0.769914D+01
      5   0.646369D+01  0.411185D+02  0.194872D+02 -0.970741D+01 -0.200940D+02
      6  -0.498743D+01 -0.880089D+00 -0.530497D+01  0.301062D+01  0.423440D+01
               241           242           243           244           245 
      1  -0.329808D+02  0.339071D+01  0.215763D+02  0.214369D+01 -0.690218D+01
      2   0.273307D+02 -0.429721D+01 -0.250600D+02 -0.482244D+00  0.335711D+01
      3   0.565013D+01  0.906507D+00  0.348370D+01 -0.166145D+01  0.354508D+01
      4   0.323053D+01 -0.612724D+01 -0.572604D+01 -0.109201D+02  0.865430D+01
      5   0.422604D+02 -0.795442D+01 -0.416785D+02  0.539397D+01 -0.458670D+01
      6  -0.153517D+01  0.394978D+01  0.162689D+01 -0.605113D+01  0.284131D+01
               246           247           248           249           250 
      1   0.817389D+00 -0.959350D+01 -0.477686D+01  0.425197D+01 -0.464213D-01
      2  -0.114738D+01  0.388982D+01  0.708831D+01 -0.945105D+00 -0.179883D+01
      3   0.329986D+00  0.570367D+01 -0.231146D+01 -0.330687D+01  0.184525D+01
      4  -0.413816D+01  0.129399D+02 -0.279279D+02  0.130067D+02 -0.523121D+01
      5   0.750808D+01 -0.652336D+01  0.132424D+02 -0.127959D+02  0.111771D+02
      6  -0.176406D+01  0.512650D+01 -0.155496D+02  0.101287D+02 -0.329636D+01
               251           252           253           254           255 
      1   0.194286D+01 -0.306008D+01 -0.293534D+02 -0.111563D+02 -0.437556D+02
      2   0.111538D+01 -0.344799D+01  0.340664D+02  0.106428D+02  0.133198D+02
      3  -0.305824D+01  0.650807D+01 -0.471301D+01  0.513497D+00  0.304357D+02
      4   0.132022D+02 -0.952208D+01 -0.171883D+02  0.304470D+01 -0.123770D+02
      5  -0.911117D+01  0.149960D+02 -0.537033D+02 -0.806046D+01 -0.140346D+02
      6   0.103668D+02 -0.782675D+01 -0.111425D+02  0.153502D+01  0.344828D+00
               256           257           258           259           260 
      1  -0.207092D+01  0.265894D+01 -0.143578D+02 -0.374691D+02 -0.129212D+02
      2   0.365959D+01 -0.197114D+02  0.958090D+01  0.101169D+02  0.143894D+02
      3  -0.158867D+01  0.170525D+02  0.477694D+01  0.273522D+02 -0.146828D+01
      4   0.119181D+02 -0.620894D+01  0.191216D+02 -0.579949D+01  0.178398D+02
      5   0.204429D+01  0.231508D+02  0.102066D+02 -0.271064D+01  0.411728D+01
      6   0.981321D+01  0.453766D+01  0.177434D+02  0.580928D+01  0.135167D+02
               261           262           263           264           265 
      1   0.102806D+02  0.368741D+02 -0.903300D+01 -0.234754D+02  0.441384D+01
      2   0.449427D+01 -0.241641D+02  0.512311D+01  0.170565D+02 -0.531703D+01
      3  -0.147749D+02 -0.127100D+02  0.390989D+01  0.641891D+01  0.903185D+00
      4   0.943690D+01 -0.168717D+02  0.111227D+02  0.109166D+02  0.533650D+01
      5   0.393457D+01 -0.338341D+02  0.939441D+01  0.294613D+02 -0.490037D+01
      6   0.405112D+01  0.610301D+01 -0.300662D+01 -0.531956D+01 -0.188382D+01
               266           267           268           269           270 
      1   0.180654D+01 -0.429354D+01 -0.290767D+02  0.694092D+01  0.215198D+02
      2  -0.582626D+00  0.505553D+01  0.234628D+02 -0.484109D+01 -0.238057D+02
      3  -0.122391D+01 -0.761986D+00  0.561392D+01 -0.209983D+01  0.228592D+01
      4  -0.551184D+01 -0.416153D+01  0.158891D+02 -0.136536D+02 -0.161104D+02
      5  -0.432244D+01  0.447696D+01  0.419168D+02 -0.139408D+02 -0.487071D+02
      6   0.207846D+01  0.280638D+01 -0.743145D+01  0.573305D+01  0.996627D+01
               271           272           273           274           275 
      1   0.661056D+00  0.712675D+01  0.342328D+01  0.780728D+01 -0.166302D+02
      2   0.138124D+01 -0.662869D+01  0.189676D+00 -0.469742D+01  0.342932D+02
      3  -0.204229D+01 -0.498068D+00 -0.361296D+01 -0.310986D+01 -0.176630D+02
      4   0.364556D+01  0.297174D+00  0.666776D+00  0.603785D+01  0.283263D+02
      5   0.210473D+01  0.255972D+01  0.912964D+00  0.517036D+01 -0.545487D+01
      6   0.151878D+01 -0.201994D+01 -0.130334D+01  0.613800D+00  0.139267D+02
               276           277           278           279           280 
      1  -0.193209D+00 -0.167493D+01  0.503265D+01 -0.215096D+01  0.649425D+02
      2  -0.668755D+01  0.233243D+01 -0.106673D+02  0.438528D+01 -0.461789D+02
      3   0.688076D+01 -0.657508D+00  0.563464D+01 -0.223433D+01 -0.187636D+02
      4  -0.232413D+01 -0.189433D+01 -0.104316D+02  0.875466D+00  0.267919D+02
      5   0.796468D+01 -0.149271D+01  0.228299D+01 -0.763767D+01  0.628604D+02
      6   0.360816D+01 -0.138785D+01 -0.219351D+01 -0.288439D+01  0.120958D+02
               281           282           283           284           285 
      1   0.674947D+01  0.220559D+02  0.124764D+01  0.483683D+01  0.150496D+01
      2  -0.358302D+01 -0.226907D+02  0.933062D+00 -0.599094D+00 -0.274650D+00
      3  -0.316646D+01  0.634740D+00 -0.218071D+01 -0.423774D+01 -0.123031D+01
      4   0.152091D+02  0.133864D+02  0.116087D+02  0.607591D+01  0.439482D+01
      5   0.119940D+02  0.391021D+02  0.306087D+01  0.561262D+01  0.105597D+01
      6   0.889591D+01  0.938501D+01  0.615612D+01  0.295175D+01  0.359301D+01
               286           287           288           289           290 
      1   0.172402D+02  0.205119D+01  0.771752D+01 -0.138957D+02  0.496536D+01
      2  -0.180485D+02 -0.266794D+01 -0.155290D+02 -0.184623D+01 -0.284853D+01
      3   0.808323D+00  0.616753D+00  0.781150D+01  0.157420D+02 -0.211683D+01
      4   0.975049D+01  0.457993D+01  0.630151D+01 -0.308941D+01 -0.273775D+01
      5   0.320084D+02  0.601311D+01  0.265580D+02  0.626902D+00 -0.112533D+01
      6   0.646872D+01  0.421304D+01  0.682733D+01  0.336959D+01 -0.571553D+01
               291           292           293           294           295 
      1   0.261397D+02 -0.137557D+01 -0.559878D+01  0.220369D+01  0.182891D+02
      2   0.240394D+01 -0.652157D-01  0.252092D+01  0.216035D+01 -0.148321D+01
      3  -0.285436D+02  0.144079D+01  0.307787D+01 -0.436405D+01 -0.168058D+02
      4   0.279091D+01 -0.863280D+00 -0.233839D+00  0.439517D+00  0.475603D+01
      5  -0.327921D+01 -0.942169D+00 -0.158940D+01 -0.356807D+01  0.478211D+01
      6  -0.725266D+01 -0.308230D+01  0.558030D+00  0.444368D+01 -0.282564D+01
               296           297 
      1  -0.364506D+01 -0.344842D+02
      2   0.267565D+00 -0.119172D+02
      3   0.337749D+01  0.464014D+02
      4   0.199340D+01 -0.225594D+01
      5   0.217555D+01  0.165653D+02
      6   0.672929D+01  0.115007D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.688865D+00      0.175092D+01      0.584044D+01
   x         -0.450098D+00     -0.114403D+01     -0.381609D+01
   y         -0.500508D+00     -0.127216D+01     -0.424348D+01
   z          0.146421D+00      0.372165D+00      0.124141D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.158480D+03      0.234843D+02      0.261298D+02
   aniso      0.671844D+02      0.995570D+01      0.110772D+02
   xx         0.200171D+03      0.296622D+02      0.330037D+02
   yx         0.559380D+01      0.828915D+00      0.922293D+00
   yy         0.144713D+03      0.214442D+02      0.238599D+02
   zx         0.708171D+01      0.104940D+01      0.116762D+01
   zy        -0.833210D+01     -0.123469D+01     -0.137378D+01
   zz         0.130555D+03      0.193463D+02      0.215257D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.168491D+03      0.249679D+02      0.277805D+02
   aniso      0.703820D+02      0.104295D+02      0.116044D+02
   xx         0.212070D+03      0.314256D+02      0.349657D+02
   yx         0.618373D+01      0.916334D+00      0.101956D+01
   yy         0.154108D+03      0.228364D+02      0.254090D+02
   zx         0.766266D+01      0.113549D+01      0.126340D+01
   zy        -0.866357D+01     -0.128381D+01     -0.142843D+01
   zz         0.139296D+03      0.206415D+02      0.229668D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -2.56020495         -0.08751731         -0.43312935
     6         -2.33456434         -0.21033613          2.19206974
     6         -0.46529858         -0.30452154         -1.99364444
     6          1.93626738         -0.66447071         -0.97198986
     6          2.17193891         -0.82340903          1.64158988
     6          0.06988398         -0.59650242          3.19661397
     6         -4.60442520          0.09901188          3.88033753
     6         -5.18909199          2.85112759          4.67842099
     6         -5.84057765          4.53180352          2.42251151
     6         -3.06139518          4.01200298          6.24793572
     6          4.24908743         -0.85373927         -2.66465964
     6          3.88190916         -3.02729133         -4.49662185
     8          3.03565785         -2.86308256         -6.60185448
     8          4.57357438         -5.26144119         -3.46633066
     1         -4.40985207          0.17209048         -1.26993407
     1         -0.70079862         -0.22179664         -4.02439720
     1          4.01722326         -1.13624541          2.47120205
     1          0.30215328         -0.73432517          5.22540443
     1         -4.33460030         -1.02514809          5.59200429
     1         -6.26930349         -0.66251348          2.92399482
     1         -6.86880239          2.73619165          5.88316847
     1         -7.39671904          3.74432295          1.31846573
     1         -4.22007614          4.75091680          1.16494084
     1         -6.40288546          6.41294903          3.05627939
     1         -1.33795859          4.21260091          5.13205527
     1         -2.61761014          2.85009163          7.89538121
     1         -3.59546318          5.88746097          6.92170756
     1          5.85959699         -1.33286771         -1.47095916
     6          4.77744333          1.61103491         -4.08015094
     1          4.19204233         -6.56161297         -4.70148150
     1          3.21839007          2.07611468         -5.33919721
     1          6.48918729          1.45617621         -5.21831910
     1          5.01580310          3.14861423         -2.73052678

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.688865D+00      0.175092D+01      0.584044D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.688865D+00      0.175092D+01      0.584044D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.158480D+03      0.234843D+02      0.261298D+02
   aniso      0.671844D+02      0.995570D+01      0.110772D+02
   xx         0.169371D+03      0.250982D+02      0.279255D+02
   yx        -0.170667D+02     -0.252902D+01     -0.281391D+01
   yy         0.132401D+03      0.196199D+02      0.218300D+02
   zx        -0.240454D+02     -0.356316D+01     -0.396455D+01
   zy         0.109752D+02      0.162636D+01      0.180957D+01
   zz         0.173667D+03      0.257348D+02      0.286338D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.168491D+03      0.249679D+02      0.277805D+02
   aniso      0.703820D+02      0.104295D+02      0.116044D+02
   xx         0.179900D+03      0.266584D+02      0.296615D+02
   yx        -0.176097D+02     -0.260949D+01     -0.290345D+01
   yy         0.140972D+03      0.208898D+02      0.232431D+02
   zx        -0.253065D+02     -0.375003D+01     -0.417247D+01
   zy         0.112761D+02      0.167094D+01      0.185917D+01
   zz         0.184603D+03      0.273553D+02      0.304369D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F16-19\Freq\RwB97XD\Gen\C13H18O2\PIERPA\08-Sep-2021\0\\#P
  wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA G
 uess=Read Geom=Check CPHF=RdFreq\\ROA calculations.\\0,1\C,-0.70991,0.
 670807,-0.967581\C,-1.514787,-0.421985,-0.641507\C,0.592878,0.771936,-
 0.502207\C,1.137615,-0.225982,0.304676\C,0.347678,-1.327177,0.619024\C
 ,-0.957714,-1.421755,0.154368\C,-2.940864,-0.508394,-1.117499\C,-3.987
 455,0.128199,-0.171742\C,-3.779028,1.632708,-0.004548\C,-4.041131,-0.5
 69211,1.186803\C,2.555065,-0.110902,0.841195\C,3.512909,0.020089,-0.32
 7512\O,3.916643,1.053908,-0.793769\O,3.856696,-1.186888,-0.831471\H,-1
 .108539,1.453325,-1.601421\H,1.197146,1.626236,-0.780243\H,0.758326,-2
 .12193,1.230081\H,-1.550996,-2.291094,0.409882\H,-3.207271,-1.558295,-
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 ABOVE ALL I AM AN OPTIMIST FOR NUMBER THEORY,
 AND I HOLD THE HOPE THAT WE MAY NOT BE FAR FROM
 A TIME WHEN IRREFUTABLE ARITHMETIC WILL CELEBRATE
 ITS TRIUMPHS IN PHYSICS AND CHEMISTRY.
   -- HERMANN MINKOWSKI, 1905
 Job cpu time:       1 days 13 hours 49 minutes 19.5 seconds.
 Elapsed time:       0 days  4 hours 43 minutes 46.6 seconds.
 File lengths (MBytes):  RWF=    703 Int=      0 D2E=      0 Chk=     24 Scr=      2
 Normal termination of Gaussian 16 at Wed Sep  8 17:13:26 2021.
